 Entering Gaussian System, Link 0=g16
 Input=23_tartaric_acid_150_STD_M11-def2SVPDr.in
 Output=23_tartaric_acid_150_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/23_tartaric_acid_150_STD/Gau-19103.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/23_tartaric_acid_150_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     19104.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=23_tartaric_acid_150_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 15:13:00 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "23_tartaric_acid_150_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.596150000000     -0.609276000000     -0.011079000000
  O                                                 1.257326000000     -1.762731000000      0.145721000000
  O                                                 2.831361000000     -0.202064000000      0.214747000000
  C                                                 0.617545000000      0.467428000000     -0.461680000000
  C                                                -0.633255000000      0.485066000000      0.462956000000
  C                                                -1.719874000000     -0.496691000000     -0.007213000000
  O                                                -2.823722000000     -0.072777000000     -0.249294000000
  O                                                 1.278067000000      1.713093000000     -0.432141000000
  O                                                -1.162976000000      1.785444000000      0.460059000000
  O                                                -1.391913000000     -1.767297000000     -0.127310000000
  H                                                 0.312245000000      0.226360000000     -1.487600000000
  H                                                -0.333287000000      0.217346000000      1.482353000000
  H                                                -0.419035000000     -1.910789000000      0.023248000000
  H                                                 2.849430000000      0.766125000000      0.077766000000
  H                                                 0.603319000000      2.381880000000     -0.229208000000
  H                                                -2.081215000000      1.690573000000      0.141279000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     16 NQM=       16 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          16          16          12          12          12          16          16          16          16
 AtmWgt=  12.0000000  15.9949146  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   5.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   8.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   8.0000000

  Atom        11          12          13          14          15          16
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Jul 23 15:13:00 2021, MaxMem= 10737418240 cpu:               2.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.596150   -0.609276   -0.011079
      2          8           0        1.257326   -1.762731    0.145721
      3          8           0        2.831361   -0.202064    0.214747
      4          6           0        0.617545    0.467428   -0.461680
      5          6           0       -0.633255    0.485066    0.462956
      6          6           0       -1.719874   -0.496691   -0.007213
      7          8           0       -2.823722   -0.072777   -0.249294
      8          8           0        1.278067    1.713093   -0.432141
      9          8           0       -1.162976    1.785444    0.460059
     10          8           0       -1.391913   -1.767297   -0.127310
     11          1           0        0.312245    0.226360   -1.487600
     12          1           0       -0.333287    0.217346    1.482353
     13          1           0       -0.419035   -1.910789    0.023248
     14          1           0        2.849430    0.766125    0.077766
     15          1           0        0.603319    2.381880   -0.229208
     16          1           0       -2.081215    1.690573    0.141279
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  O    1.212372   0.000000
     3  O    1.320063   2.217664   0.000000
     4  C    1.523155   2.398305   2.409721   0.000000
     5  C    2.528347   2.954239   3.540808   1.555559   0.000000
     6  C    3.317937   3.238822   4.566159   2.568967   1.538066
     7  O    4.458682   4.434742   5.675563   3.489878   2.369944
     8  O    2.381568   3.523593   2.549316   1.410264   2.441803
     9  O    3.683671   4.306532   4.468232   2.399380   1.404135
    10  O    3.206718   2.663275   4.516968   3.023859   2.448901
    11  H    2.127631   2.741787   3.070420   1.097194   2.183018
    12  H    2.576115   2.870077   3.434782   2.178506   1.095822
    13  H    2.399184   1.687337   3.677157   2.639237   2.445272
    14  H    1.862883   2.989068   0.977998   2.315498   3.515176
    15  H    3.159163   4.212612   3.440644   1.928567   2.367722
    16  H    4.339992   4.803247   5.265062   3.023731   1.911364
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.206974   0.000000
     8  O    3.748514   4.477437   0.000000
     9  O    2.395124   2.591186   2.599990   0.000000
    10  O    1.317733   2.221791   4.397139   3.608238   0.000000
    11  H    2.616076   3.384845   2.063294   2.898344   2.954524
    12  H    2.156682   3.047136   2.915306   2.047535   2.765956
    13  H    1.921662   3.038929   4.027413   3.795575   0.994861
    14  H    4.741357   5.744160   1.904189   4.157471   4.944621
    15  H    3.705763   4.215490   0.971464   1.987617   4.605106
    16  H    2.221878   1.952759   3.407946   0.976619   3.536120
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.039311   0.000000
    13  H    2.717506   2.581724   0.000000
    14  H    3.029691   3.521890   4.225128   0.000000
    15  H    2.512875   2.914083   4.419949   2.783866   0.000000
    16  H    3.244352   2.650307   3.968196   5.016961   2.796764
                   16
    16  H    0.000000
 Stoichiometry    C4H6O6
 Framework group  C1[X(C4H6O6)]
 Deg. of freedom    42
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.81D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.596150   -0.609276   -0.011079
      2          8           0        1.257327   -1.762731    0.145721
      3          8           0        2.831361   -0.202063    0.214747
      4          6           0        0.617545    0.467428   -0.461680
      5          6           0       -0.633255    0.485066    0.462956
      6          6           0       -1.719874   -0.496691   -0.007213
      7          8           0       -2.823722   -0.072778   -0.249294
      8          8           0        1.278067    1.713093   -0.432141
      9          8           0       -1.162976    1.785444    0.460059
     10          8           0       -1.391912   -1.767297   -0.127310
     11          1           0        0.312245    0.226360   -1.487600
     12          1           0       -0.333287    0.217346    1.482353
     13          1           0       -0.419034   -1.910789    0.023248
     14          1           0        2.849430    0.766126    0.077766
     15          1           0        0.603318    2.381880   -0.229208
     16          1           0       -2.081215    1.690572    0.141279
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.0846324           1.0823921           0.7513491
 Leave Link  202 at Fri Jul 23 15:13:01 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     16
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      4      5      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      7      8      9     10
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   286 symmetry adapted cartesian basis functions of A   symmetry.
 There are   266 symmetry adapted basis functions of A   symmetry.
   266 basis functions,   398 primitive gaussians,   286 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       582.5656445576 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   16 NActive=   16 NUniq=   16 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 23 15:13:02 2021, MaxMem= 10737418240 cpu:              13.8 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   266 RedAO= T EigKep=  3.56D-05  NBF=   266
 NBsUse=   266 1.00D-06 EigRej= -1.00D+00 NBFU=   266
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   286   286   286   286   286 MxSgAt=    16 MxSgA2=    16.
 Leave Link  302 at Fri Jul 23 15:13:03 2021, MaxMem= 10737418240 cpu:               6.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 15:13:03 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "23_tartaric_acid_150_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 15:13:04 2021, MaxMem= 10737418240 cpu:               5.7 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737247312 LenY= 10737165075
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -606.728415397308    
 DIIS: error= 4.78D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -606.728415397308     IErMin= 1 ErrMin= 4.78D-03
 ErrMax= 4.78D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.15D-02 BMatP= 3.15D-02
 IDIUse=3 WtCom= 9.52D-01 WtEn= 4.78D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.467 Goal=   None    Shift=    0.000
 GapD=    0.467 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.01D-03 MaxDP=1.43D-01              OVMax= 2.02D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.01D-03    CP:  1.00D+00
 E= -606.757493046816     Delta-E=       -0.029077649507 Rises=F Damp=F
 DIIS: error= 1.62D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -606.757493046816     IErMin= 2 ErrMin= 1.62D-03
 ErrMax= 1.62D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.27D-03 BMatP= 3.15D-02
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.62D-02
 Coeff-Com:  0.481D-01 0.952D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.473D-01 0.953D+00
 Gap=     0.453 Goal=   None    Shift=    0.000
 RMSDP=1.17D-03 MaxDP=3.62D-02 DE=-2.91D-02 OVMax= 9.74D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.75D-04    CP:  9.95D-01  1.15D+00
 E= -606.758892279534     Delta-E=       -0.001399232719 Rises=F Damp=F
 DIIS: error= 1.13D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -606.758892279534     IErMin= 3 ErrMin= 1.13D-03
 ErrMax= 1.13D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.62D-03 BMatP= 2.27D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.13D-02
 Coeff-Com: -0.628D-01 0.458D+00 0.604D+00
 Coeff-En:   0.000D+00 0.131D+00 0.869D+00
 Coeff:     -0.621D-01 0.455D+00 0.607D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=2.36D-04 MaxDP=1.02D-02 DE=-1.40D-03 OVMax= 3.96D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.74D-04    CP:  9.96D-01  1.18D+00  9.57D-01
 E= -606.759932747399     Delta-E=       -0.001040467865 Rises=F Damp=F
 DIIS: error= 2.37D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -606.759932747399     IErMin= 4 ErrMin= 2.37D-04
 ErrMax= 2.37D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.93D-05 BMatP= 1.62D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.37D-03
 Coeff-Com: -0.226D-01 0.832D-01 0.186D+00 0.754D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.225D-01 0.830D-01 0.185D+00 0.754D+00
 Gap=     0.446 Goal=   None    Shift=    0.000
 RMSDP=9.12D-05 MaxDP=4.05D-03 DE=-1.04D-03 OVMax= 1.27D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.25D-05    CP:  9.94D-01  1.18D+00  9.89D-01  1.02D+00
 E= -606.759980622968     Delta-E=       -0.000047875569 Rises=F Damp=F
 DIIS: error= 7.46D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -606.759980622968     IErMin= 5 ErrMin= 7.46D-05
 ErrMax= 7.46D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.11D-06 BMatP= 4.93D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.221D-02-0.371D-01-0.383D-01 0.231D+00 0.843D+00
 Coeff:      0.221D-02-0.371D-01-0.383D-01 0.231D+00 0.843D+00
 Gap=     0.446 Goal=   None    Shift=    0.000
 RMSDP=3.04D-05 MaxDP=7.01D-04 DE=-4.79D-05 OVMax= 9.20D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.27D-05    CP:  9.94D-01  1.18D+00  1.01D+00  1.07D+00  1.09D+00
 E= -606.759987561337     Delta-E=       -0.000006938369 Rises=F Damp=F
 DIIS: error= 4.48D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -606.759987561337     IErMin= 6 ErrMin= 4.48D-05
 ErrMax= 4.48D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-06 BMatP= 7.11D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.327D-02-0.274D-01-0.379D-01 0.574D-01 0.446D+00 0.559D+00
 Coeff:      0.327D-02-0.274D-01-0.379D-01 0.574D-01 0.446D+00 0.559D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=8.29D-06 MaxDP=3.13D-04 DE=-6.94D-06 OVMax= 2.83D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.85D-06    CP:  9.94D-01  1.18D+00  1.01D+00  1.08D+00  1.12D+00
                    CP:  1.03D+00
 E= -606.759988949484     Delta-E=       -0.000001388147 Rises=F Damp=F
 DIIS: error= 5.52D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -606.759988949484     IErMin= 7 ErrMin= 5.52D-06
 ErrMax= 5.52D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.75D-08 BMatP= 1.79D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.209D-03 0.573D-03-0.539D-03-0.234D-01-0.471D-01 0.788D-01
 Coeff-Com:  0.992D+00
 Coeff:      0.209D-03 0.573D-03-0.539D-03-0.234D-01-0.471D-01 0.788D-01
 Coeff:      0.992D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=4.80D-06 MaxDP=1.81D-04 DE=-1.39D-06 OVMax= 9.31D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.20D-06    CP:  9.94D-01  1.18D+00  1.01D+00  1.07D+00  1.14D+00
                    CP:  1.16D+00  1.15D+00
 E= -606.759989037655     Delta-E=       -0.000000088170 Rises=F Damp=F
 DIIS: error= 1.80D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -606.759989037655     IErMin= 8 ErrMin= 1.80D-06
 ErrMax= 1.80D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.52D-09 BMatP= 4.75D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.163D-03 0.176D-02 0.237D-02-0.825D-02-0.325D-01-0.263D-01
 Coeff-Com:  0.154D+00 0.909D+00
 Coeff:     -0.163D-03 0.176D-02 0.237D-02-0.825D-02-0.325D-01-0.263D-01
 Coeff:      0.154D+00 0.909D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=1.14D-06 MaxDP=4.75D-05 DE=-8.82D-08 OVMax= 2.45D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.77D-07    CP:  9.94D-01  1.18D+00  1.01D+00  1.07D+00  1.15D+00
                    CP:  1.19D+00  1.19D+00  1.20D+00
 E= -606.759989043305     Delta-E=       -0.000000005651 Rises=F Damp=F
 DIIS: error= 7.62D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -606.759989043305     IErMin= 9 ErrMin= 7.62D-07
 ErrMax= 7.62D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.22D-10 BMatP= 3.52D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.760D-04 0.570D-03 0.909D-03-0.106D-02-0.639D-02-0.183D-01
 Coeff-Com: -0.387D-01 0.326D+00 0.737D+00
 Coeff:     -0.760D-04 0.570D-03 0.909D-03-0.106D-02-0.639D-02-0.183D-01
 Coeff:     -0.387D-01 0.326D+00 0.737D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=3.74D-07 MaxDP=1.46D-05 DE=-5.65D-09 OVMax= 8.32D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.25D-07    CP:  9.94D-01  1.18D+00  1.01D+00  1.07D+00  1.15D+00
                    CP:  1.19D+00  1.19D+00  1.30D+00  1.02D+00
 E= -606.759989044140     Delta-E=       -0.000000000835 Rises=F Damp=F
 DIIS: error= 3.00D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -606.759989044140     IErMin=10 ErrMin= 3.00D-07
 ErrMax= 3.00D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.77D-11 BMatP= 7.22D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.988D-05 0.184D-04 0.725D-04 0.435D-03 0.143D-02-0.418D-02
 Coeff-Com: -0.283D-01 0.130D-01 0.249D+00 0.768D+00
 Coeff:     -0.988D-05 0.184D-04 0.725D-04 0.435D-03 0.143D-02-0.418D-02
 Coeff:     -0.283D-01 0.130D-01 0.249D+00 0.768D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=1.42D-07 MaxDP=4.96D-06 DE=-8.35D-10 OVMax= 3.96D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.03D-08    CP:  9.94D-01  1.18D+00  1.01D+00  1.07D+00  1.15D+00
                    CP:  1.19D+00  1.20D+00  1.33D+00  1.09D+00  1.20D+00
 E= -606.759989044285     Delta-E=       -0.000000000145 Rises=F Damp=F
 DIIS: error= 1.33D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -606.759989044285     IErMin=11 ErrMin= 1.33D-07
 ErrMax= 1.33D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-11 BMatP= 8.77D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.940D-05-0.948D-04-0.135D-03 0.382D-03 0.188D-02 0.130D-02
 Coeff-Com: -0.474D-02-0.568D-01-0.281D-01 0.332D+00 0.754D+00
 Coeff:      0.940D-05-0.948D-04-0.135D-03 0.382D-03 0.188D-02 0.130D-02
 Coeff:     -0.474D-02-0.568D-01-0.281D-01 0.332D+00 0.754D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=5.53D-08 MaxDP=2.17D-06 DE=-1.45D-10 OVMax= 2.19D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.03D-08    CP:  9.94D-01  1.18D+00  1.01D+00  1.07D+00  1.15D+00
                    CP:  1.19D+00  1.20D+00  1.33D+00  1.12D+00  1.33D+00
                    CP:  1.12D+00
 E= -606.759989044294     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 4.17D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -606.759989044294     IErMin=12 ErrMin= 4.17D-08
 ErrMax= 4.17D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-12 BMatP= 1.97D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.328D-05-0.242D-04-0.405D-04 0.382D-04 0.284D-03 0.699D-03
 Coeff-Com:  0.260D-02-0.162D-01-0.368D-01-0.124D-01 0.204D+00 0.858D+00
 Coeff:      0.328D-05-0.242D-04-0.405D-04 0.382D-04 0.284D-03 0.699D-03
 Coeff:      0.260D-02-0.162D-01-0.368D-01-0.124D-01 0.204D+00 0.858D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=1.85D-08 MaxDP=5.96D-07 DE=-8.41D-12 OVMax= 1.21D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.22D-08    CP:  9.94D-01  1.18D+00  1.01D+00  1.07D+00  1.15D+00
                    CP:  1.19D+00  1.19D+00  1.33D+00  1.13D+00  1.35D+00
                    CP:  1.20D+00  1.11D+00
 E= -606.759989044311     Delta-E=       -0.000000000018 Rises=F Damp=F
 DIIS: error= 1.96D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -606.759989044311     IErMin=13 ErrMin= 1.96D-08
 ErrMax= 1.96D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.50D-13 BMatP= 1.88D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.442D-06 0.855D-05 0.959D-05-0.634D-04-0.262D-03 0.116D-04
 Coeff-Com:  0.221D-02 0.454D-02-0.103D-01-0.743D-01-0.633D-01 0.381D+00
 Coeff-Com:  0.760D+00
 Coeff:     -0.442D-06 0.855D-05 0.959D-05-0.634D-04-0.262D-03 0.116D-04
 Coeff:      0.221D-02 0.454D-02-0.103D-01-0.743D-01-0.633D-01 0.381D+00
 Coeff:      0.760D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=8.33D-09 MaxDP=2.40D-07 DE=-1.75D-11 OVMax= 6.32D-07

 SCF Done:  E(RM11) =  -606.759989044     A.U. after   13 cycles
            NFock= 13  Conv=0.83D-08     -V/T= 2.0101
 KE= 6.007161902450D+02 PE=-2.587011748348D+03 EE= 7.969699245010D+02
 Leave Link  502 at Fri Jul 23 15:14:18 2021, MaxMem= 10737418240 cpu:            1177.5 elap:              73.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   266
 NBasis=   266 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    266 NOA=    39 NOB=    39 NVA=   227 NVB=   227

 **** Warning!!: The largest alpha MO coefficient is  0.40914761D+02

 Leave Link  801 at Fri Jul 23 15:14:18 2021, MaxMem= 10737418240 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4853 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          16
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.48D-13 8.33D-09 XBig12= 1.00D+00 2.43D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.48D-13 8.33D-09 XBig12= 2.08D-01 6.46D-02.
     11 vectors produced by pass  2 Test12= 1.48D-13 8.33D-09 XBig12= 3.92D-02 4.79D-02.
     11 vectors produced by pass  3 Test12= 1.48D-13 8.33D-09 XBig12= 4.85D-03 1.32D-02.
     11 vectors produced by pass  4 Test12= 1.48D-13 8.33D-09 XBig12= 4.74D-04 3.56D-03.
     11 vectors produced by pass  5 Test12= 1.48D-13 8.33D-09 XBig12= 2.32D-05 6.19D-04.
     11 vectors produced by pass  6 Test12= 1.48D-13 8.33D-09 XBig12= 7.24D-07 9.88D-05.
     11 vectors produced by pass  7 Test12= 1.48D-13 8.33D-09 XBig12= 1.55D-08 1.47D-05.
     11 vectors produced by pass  8 Test12= 1.48D-13 8.33D-09 XBig12= 3.68D-10 2.48D-06.
     11 vectors produced by pass  9 Test12= 1.48D-13 8.33D-09 XBig12= 8.72D-12 2.75D-07.
      8 vectors produced by pass 10 Test12= 1.48D-13 8.33D-09 XBig12= 1.81D-13 4.72D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.849494D+02
      2 -0.340018D-01  0.764442D+02
      3  0.227692D+01 -0.500416D+00  0.531759D+02
 Isotropic polarizability for W=    0.088559       71.52 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.116441D+02  0.235325D+02 -0.450058D+01
      2   0.541937D+01 -0.145113D+02  0.380080D+01
      3   0.622468D+01 -0.902123D+01  0.699780D+00
      4   0.180926D+02 -0.231190D+01 -0.102258D+02
      5  -0.417063D+01 -0.802962D+01 -0.327488D+01
      6  -0.713227D+01  0.823273D+00  0.756131D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.382871D+01 -0.844635D+00 -0.490296D+01
      2  -0.157400D+01 -0.435955D+01 -0.316966D+01
      3  -0.144557D+02 -0.150320D+01  0.100538D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.219622D+01 -0.297752D+01 -0.165825D+02
      2  -0.329943D+00 -0.309357D+01 -0.949956D+01
      3  -0.543994D+01  0.773127D+01  0.897352D+00
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.112803D+01  0.191224D+00  0.208686D+01
      2   0.191224D+00  0.164365D+01  0.947179D+00
      3   0.208686D+01  0.947179D+00 -0.410797D-01
 OR G Eigenvalues:    -2.7841     0.7653     2.4933  Iso=    -0.1582
 Eigenvectors:
   (1)   0.774914   0.100041  -0.624100
   (2)  -0.511628   0.679063  -0.526412
   (3)   0.371141   0.727231   0.577399
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1582 au.
 Molar Mass =    150.0878 grams/mole, [Alpha] ( 5145.0 A) =      -53.44 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   35511 ScalPx= 3.41D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   35511 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.36D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.46D-14 2.78D-09 XBig12= 1.00D+00 3.18D-01.
     30 vectors produced by pass  1 Test12= 2.46D-14 2.78D-09 XBig12= 8.52D-02 4.49D-02.
     30 vectors produced by pass  2 Test12= 2.46D-14 2.78D-09 XBig12= 3.00D-03 7.27D-03.
     30 vectors produced by pass  3 Test12= 2.46D-14 2.78D-09 XBig12= 7.54D-05 1.38D-03.
     30 vectors produced by pass  4 Test12= 2.46D-14 2.78D-09 XBig12= 1.06D-06 1.02D-04.
     30 vectors produced by pass  5 Test12= 2.46D-14 2.78D-09 XBig12= 1.54D-08 1.41D-05.
     30 vectors produced by pass  6 Test12= 2.46D-14 2.78D-09 XBig12= 1.86D-10 1.28D-06.
     30 vectors produced by pass  7 Test12= 2.46D-14 2.78D-09 XBig12= 1.41D-12 1.05D-07.
     15 vectors produced by pass  8 Test12= 2.46D-14 2.78D-09 XBig12= 1.23D-14 8.91D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.66D-15
 Solved reduced A of dimension   255 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   35511 ScalPx= 1.39D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   35511 ScalPx= 1.39D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   35511 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.74D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.849494D+02 -0.340018D-01  0.227692D+01
      2  -0.340018D-01  0.764442D+02 -0.500416D+00
      3   0.227692D+01 -0.500416D+00  0.531759D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.382871D+01 -0.844635D+00 -0.490296D+01
      2  -0.157400D+01 -0.435955D+01 -0.316966D+01
      3  -0.144557D+02 -0.150320D+01  0.100538D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.116441D+02  0.235325D+02 -0.450058D+01
      2   0.541937D+01 -0.145113D+02  0.380080D+01
      3   0.622468D+01 -0.902123D+01  0.699780D+00
      4   0.180926D+02 -0.231190D+01 -0.102258D+02
      5  -0.417063D+01 -0.802962D+01 -0.327488D+01
      6  -0.713227D+01  0.823273D+00  0.756131D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.154400D+01 -0.687554D+00  0.305595D-01  0.277435D+01  0.144339D+01
      2  -0.687554D+00  0.186946D+01 -0.250097D+00  0.144339D+01  0.489889D+01
      3   0.305595D-01 -0.250097D+00  0.320628D+00 -0.308176D+00 -0.186185D+00
                 6             7             8             9            10 
      1  -0.308176D+00 -0.164729D+01  0.181245D+00  0.327103D+00 -0.230196D+01
      2  -0.186185D+00  0.181245D+00 -0.715101D+00 -0.106132D+00 -0.220346D+01
      3  -0.282558D-01  0.327103D+00 -0.106132D+00 -0.799079D+00  0.246175D+00
                11            12            13            14            15 
      1  -0.220346D+01  0.246175D+00 -0.569444D+01 -0.427545D+00  0.208209D-01
      2  -0.703421D+00  0.435534D-01 -0.427545D+00 -0.115685D+02  0.579073D+00
      3   0.435534D-01 -0.395971D+00  0.208209D-01  0.579073D+00 -0.196922D+01
                16            17            18            19            20 
      1   0.921727D+00  0.833528D-01 -0.288827D+00  0.858759D+01  0.273605D+00
      2   0.833528D-01  0.879875D+00 -0.260959D+01  0.273605D+00  0.879435D+00
      3  -0.288827D+00 -0.260959D+01  0.885523D+00  0.522063D+00  0.588987D-01
                21            22            23            24            25 
      1   0.522063D+00 -0.195999D+01  0.123391D+01 -0.182855D+00  0.174614D+01
      2   0.588987D-01  0.123391D+01 -0.294414D+01  0.642450D+00 -0.134081D+00
      3   0.119424D+01 -0.182855D+00  0.642450D+00 -0.103420D+00  0.229182D+01
                26            27            28            29            30 
      1  -0.134081D+00  0.229182D+01  0.554335D+01 -0.874525D+00 -0.116144D+01
      2   0.830888D+00  0.485558D+00 -0.874525D+00 -0.916732D+00  0.547458D+00
      3   0.485558D+00  0.926615D+00 -0.116144D+01  0.547458D+00  0.241013D+01
                31            32            33            34            35 
      1  -0.405531D+00 -0.203597D+01  0.101906D+01 -0.305423D+01  0.610615D+00
      2  -0.203597D+01 -0.971658D+00  0.139557D+00  0.610615D+00  0.534977D-01
      3   0.101906D+01  0.139557D+00  0.172433D+01  0.300887D+01  0.417678D+00
                36            37            38            39            40 
      1   0.300887D+01 -0.563613D+01  0.169046D+01  0.110936D+01  0.166316D+00
      2   0.417678D+00  0.169046D+01  0.121872D+01  0.657707D+00  0.214662D+01
      3   0.449620D+01  0.110936D+01  0.657707D+00 -0.218252D+01  0.117115D+01
                41            42            43            44            45 
      1   0.214662D+01  0.117115D+01  0.311470D+01  0.145528D+00 -0.297402D+01
      2  -0.333444D-01  0.432839D-01  0.145528D+00  0.377702D+00  0.116691D+01
      3   0.432839D-01  0.186592D+01 -0.297402D+01  0.116691D+01 -0.430933D+01
                46            47            48            49            50 
      1   0.662444D+01 -0.281148D+01  0.625522D+00 -0.397137D+01 -0.104903D+01
      2  -0.281148D+01  0.106755D+01 -0.230977D+00 -0.104903D+01 -0.281495D+00
      3   0.625522D+00 -0.230977D+00  0.700208D+00 -0.785350D+00 -0.232963D+00
                51            52            53            54            55 
      1  -0.785350D+00  0.148928D+01 -0.383439D+00  0.305554D+00 -0.145063D+02
      2  -0.232963D+00 -0.383439D+00  0.501571D+00 -0.796080D+00  0.219306D+01
      3  -0.114836D+01  0.305554D+00 -0.796080D+00  0.826098D+00 -0.115017D+01
                56            57            58            59            60 
      1   0.219306D+01 -0.115017D+01  0.227656D+01 -0.254792D+01  0.257222D+00
      2  -0.368877D+01  0.131783D+00 -0.254792D+01  0.247216D+01 -0.363736D+00
      3   0.131783D+00 -0.229895D+01  0.257222D+00 -0.363736D+00  0.968043D+00
                61            62            63            64            65 
      1  -0.208908D+01  0.292813D+00 -0.332854D+01  0.500424D+01  0.127123D+01
      2   0.292813D+00 -0.912103D+00  0.831825D+00  0.127123D+01  0.400023D+01
      3  -0.332854D+01  0.831825D+00 -0.166081D+01 -0.621706D+00 -0.464267D+00
                66            67            68            69            70 
      1  -0.621706D+00  0.610871D-01  0.291565D+01 -0.317160D+00 -0.563037D+00
      2  -0.464267D+00  0.291565D+01  0.288233D+01 -0.988876D+00 -0.177149D-01
      3   0.356657D+00 -0.317160D+00 -0.988876D+00 -0.226782D+00  0.736828D+00
                71            72            73            74            75 
      1  -0.177149D-01  0.736828D+00  0.238283D+01  0.132838D+01  0.654436D+00
      2  -0.107646D+01  0.127884D+01  0.132838D+01  0.165493D+01 -0.167150D+00
      3   0.127884D+01 -0.723110D+00  0.654436D+00 -0.167150D+00  0.874617D+00
                76            77            78            79            80 
      1   0.154210D+01 -0.103454D+01 -0.668209D+00  0.116882D+01 -0.389230D+00
      2  -0.103454D+01  0.627307D+01  0.116135D+01 -0.389230D+00  0.169290D+01
      3  -0.668209D+00  0.116135D+01  0.475396D+00 -0.343428D+00  0.158195D+01
                81            82            83            84            85 
      1  -0.343428D+00 -0.770845D+01 -0.143516D+01 -0.676668D+00  0.566782D+00
      2   0.158195D+01 -0.143516D+01 -0.157651D+01 -0.775718D-01 -0.466676D+00
      3   0.110812D+01 -0.676668D+00 -0.775718D-01 -0.220941D+00  0.327308D+00
                86            87            88            89            90 
      1  -0.466676D+00  0.327308D+00 -0.131763D+01  0.347624D-01  0.989400D-01
      2  -0.691124D+01 -0.263414D+00  0.347624D-01 -0.692568D+00 -0.191886D+01
      3  -0.263414D+00 -0.100690D+01  0.989400D-01 -0.191886D+01 -0.433155D+00
                91            92            93            94            95 
      1  -0.188294D+01 -0.255760D+00 -0.117836D+01 -0.446385D+00  0.191789D+00
      2  -0.255760D+00 -0.247864D+00 -0.157000D+00  0.191789D+00 -0.498280D+00
      3  -0.117836D+01 -0.157000D+00 -0.160502D+01 -0.374002D+00 -0.127582D+01
                96            97            98            99           100 
      1  -0.374002D+00 -0.140776D+01 -0.289294D+00 -0.106448D+01  0.204821D+01
      2  -0.127582D+01 -0.289294D+00 -0.172339D+01 -0.513707D+00 -0.570361D+00
      3  -0.102246D+01 -0.106448D+01 -0.513707D+00 -0.733565D+01  0.118185D+01
               101           102           103           104           105 
      1  -0.570361D+00  0.118185D+01 -0.671402D+00 -0.872440D-01 -0.367364D+00
      2   0.162068D+00 -0.202680D+00 -0.872440D-01 -0.608577D+00  0.126175D+01
      3  -0.202680D+00  0.158838D+01 -0.367364D+00  0.126175D+01 -0.111287D+01
               106           107           108           109           110 
      1   0.146519D+01 -0.209765D+00  0.133318D+01  0.869847D+01 -0.444073D+00
      2  -0.209765D+00  0.154346D+01 -0.741809D+00 -0.444073D+00  0.127358D+01
      3   0.133318D+01 -0.741809D+00  0.721914D+01  0.456371D+00  0.167513D+00
               111           112           113           114           115 
      1   0.456371D+00 -0.499779D+00  0.285854D+00 -0.890284D-02  0.126810D+01
      2   0.167513D+00  0.285854D+00 -0.164564D+01  0.632746D-01 -0.504059D-01
      3   0.335534D+00 -0.890284D-02  0.632746D-01 -0.523723D+00 -0.284786D-01
               116           117           118           119           120 
      1  -0.504059D-01 -0.284786D-01  0.130287D+01  0.120753D+01 -0.133402D+00
      2   0.289025D+00 -0.504451D+00  0.120753D+01  0.537566D+00  0.138399D+00
      3  -0.504451D+00  0.733173D-01 -0.133402D+00  0.138399D+00  0.586918D+00
               121           122           123           124           125 
      1   0.355445D+01  0.104563D+01  0.408780D+00 -0.414393D+00  0.109305D+00
      2   0.104563D+01  0.421956D+01 -0.316077D+00  0.109305D+00 -0.413512D+00
      3   0.408780D+00 -0.316077D+00  0.768564D+00  0.539295D+00  0.392804D+00
               126           127           128           129           130 
      1   0.539295D+00 -0.224112D+01  0.547718D+00  0.548612D+00  0.193399D+01
      2   0.392804D+00  0.547718D+00 -0.227314D+01  0.477287D-01 -0.699797D+00
      3   0.112214D+00  0.548612D+00  0.477287D-01 -0.467476D+00 -0.223651D+00
               131           132           133           134           135 
      1  -0.699797D+00 -0.223651D+00  0.704691D+00 -0.913241D-01 -0.660650D-01
      2   0.473702D+01  0.439443D-01 -0.913241D-01  0.571810D+00  0.702726D+00
      3   0.439443D-01  0.106530D+01 -0.660650D-01  0.702726D+00 -0.220979D-01
               136           137           138           139           140 
      1  -0.437107D+01  0.770387D+00 -0.453195D+00  0.773257D+00 -0.914119D+00
      2   0.770387D+00 -0.325712D+01 -0.243300D+00 -0.914119D+00 -0.201735D-01
      3  -0.453195D+00 -0.243300D+00 -0.119644D+01  0.313279D-01 -0.307605D+00
               141           142           143           144 
      1   0.313279D-01 -0.138524D+01  0.107634D+00 -0.547741D+00
      2  -0.307605D+00  0.107634D+00 -0.120759D+01  0.332327D+00
      3   0.274427D+00 -0.547741D+00  0.332327D+00 -0.364009D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.444916D+00 -0.186327D+01  0.127037D+01 -0.375046D+01  0.279796D+01
      2   0.355862D+01 -0.308533D+01 -0.430886D+01 -0.441525D+01  0.736901D+00
      3  -0.480372D+00 -0.384668D+01  0.209528D+01 -0.728207D+01 -0.581266D+01
                 6             7             8             9            10 
      1   0.777786D+01 -0.693927D+00  0.946062D+01 -0.286268D+01  0.133901D+00
      2   0.232810D+00 -0.131481D+02  0.255462D+01 -0.466978D+01 -0.243162D+00
      3   0.172092D+01  0.440047D+01  0.250148D+01 -0.136754D+01  0.697129D+01
                11            12            13            14            15 
      1   0.170391D+00 -0.386449D+00  0.215462D+00  0.119017D-01 -0.104390D+02
      2   0.651285D+00  0.318607D+01  0.941995D+00  0.820769D+00 -0.193594D+01
      3  -0.876346D+00 -0.913362D+00  0.181753D+02  0.178154D+02 -0.110346D+01
                16            17            18            19            20 
      1   0.145031D+01 -0.405388D+00  0.222175D+01  0.581872D+00  0.703392D+00
      2  -0.262135D+01 -0.534563D+01  0.217113D+01  0.828287D+00  0.467134D+00
      3  -0.274248D+01 -0.122113D+01  0.508893D+01 -0.235298D+01 -0.970042D+01
                21            22            23            24            25 
      1  -0.599272D+00  0.813294D+00 -0.151619D+01 -0.231248D+01  0.175235D+01
      2   0.859474D+01  0.800069D+00  0.175983D+01 -0.138592D+01  0.490704D+01
      3  -0.358095D+00 -0.458927D+00  0.123049D+02 -0.253509D+01 -0.897076D+00
                26            27            28            29            30 
      1   0.162364D+01  0.460550D+00  0.350084D+00  0.129912D+01  0.131439D+01
      2  -0.149476D+01  0.346902D+01 -0.295477D+01  0.105752D+01  0.378219D+01
      3  -0.396122D+01 -0.183280D+01  0.669560D+00 -0.322894D+01 -0.430355D+00
                31            32            33            34            35 
      1   0.325976D+01  0.427095D-01 -0.261880D+01 -0.187524D+01  0.268050D+01
      2   0.276636D+01 -0.581441D+00 -0.134981D+01 -0.285984D+01  0.899089D+00
      3   0.523100D+01  0.148801D+01 -0.881957D+00 -0.186718D+01 -0.263235D+00
                36            37            38            39            40 
      1  -0.157266D+01 -0.493705D+00  0.192805D+01 -0.108081D+01  0.126291D+01
      2   0.377295D+01 -0.146385D+01 -0.101464D+01  0.300024D+01 -0.260690D+01
      3   0.740767D-01  0.784521D+00 -0.161347D+01  0.341545D+00  0.677120D+01
                41            42            43            44            45 
      1  -0.380614D-01 -0.238106D+01  0.134487D+01  0.193013D+01  0.209297D+01
      2  -0.944781D+00  0.674740D+00 -0.365854D+01 -0.179371D+01  0.355676D+01
      3   0.105274D+01  0.522591D+00  0.260202D+01 -0.591691D+00  0.478771D+00
                46            47            48            49            50 
      1  -0.266776D+00 -0.474981D+01 -0.151611D+01 -0.386833D+01 -0.280171D+01
      2   0.410925D+01  0.314717D+01 -0.820100D+01  0.376273D+01  0.187890D+01
      3  -0.631450D+01  0.669352D+01 -0.151464D+01  0.379215D+01 -0.520806D+01
                51            52            53            54            55 
      1   0.517013D+01  0.229290D+01  0.122744D+02  0.249981D+01 -0.864643D+00
      2   0.238268D+01 -0.127497D+02 -0.220258D+01 -0.553504D+01  0.263056D+00
      3   0.172051D+01 -0.224945D+01  0.491180D+01 -0.878506D+00  0.101109D+02
                56            57            58            59            60 
      1   0.222285D+01  0.602128D+00  0.109538D+01 -0.497232D+00 -0.344690D+01
      2  -0.844970D+00  0.135954D+02 -0.990815D+00  0.463495D-01 -0.208811D+01
      3  -0.192485D+02  0.775365D+00 -0.346192D+01  0.103760D+02 -0.931836D+00
                61            62            63            64            65 
      1  -0.277332D+01  0.159020D+01 -0.100833D+01  0.163498D+01 -0.222040D+01
      2   0.454384D+01  0.577606D+00  0.517572D+01  0.158681D+01  0.854843D-01
      3   0.965357D+00 -0.419698D+01  0.353424D+01  0.120073D+02 -0.927293D+01
                66            67            68            69            70 
      1  -0.270693D+01 -0.257663D+01 -0.739912D+00 -0.337037D+01 -0.138816D+01
      2   0.364246D+01 -0.203666D+00 -0.349173D-01  0.183861D+01 -0.204807D+01
      3  -0.175776D+01 -0.278032D+01  0.160631D+01  0.180885D+01 -0.303779D+01
                71            72            73            74            75 
      1   0.296216D+01  0.738000D+00 -0.134691D+01 -0.737976D+00 -0.561501D+00
      2   0.123588D+01 -0.886103D+00 -0.190036D+01 -0.159067D+01  0.141619D+01
      3   0.157315D+01  0.895123D-01  0.115180D+02  0.607507D+01  0.269834D+01
                76            77            78            79            80 
      1  -0.212745D+00  0.292027D+01 -0.553199D+01 -0.233689D-01  0.138433D+01
      2  -0.377042D+00 -0.526518D+00 -0.193104D+01 -0.330468D+01 -0.384727D+00
      3   0.762057D+01  0.688862D+01  0.188217D+00  0.423792D+01  0.320212D+01
                81            82            83            84            85 
      1  -0.136548D+01 -0.129926D+01  0.109893D+01 -0.857672D+00  0.360426D-01
      2  -0.150977D+01 -0.395641D-01 -0.183386D+00  0.372357D+01 -0.913869D+00
      3   0.170551D+01  0.222210D+02 -0.539195D+01  0.159425D+01  0.479048D+01
                86            87            88            89            90 
      1   0.332762D-02 -0.717551D+01 -0.203924D+01 -0.235213D+01 -0.171751D+01
      2   0.154151D+00  0.163386D+00 -0.110901D+01  0.407080D+01  0.136444D+01
      3  -0.807742D+01 -0.714023D+00  0.446505D+01 -0.185405D+01 -0.331956D+01
                91            92            93            94            95 
      1   0.947772D+00  0.922098D+00  0.818281D+00  0.753026D+00  0.816059D+00
      2  -0.225414D+01 -0.463874D+00 -0.793518D+00 -0.116893D+01 -0.130625D+01
      3  -0.614133D+00 -0.344894D+00 -0.295649D+00  0.865371D+00  0.251300D+00
                96            97            98            99           100 
      1   0.858980D+00  0.669552D+00  0.331224D+01  0.237404D+01 -0.106525D+01
      2  -0.766359D+00 -0.343296D+01 -0.306205D+00 -0.437157D+01 -0.224114D+01
      3   0.792035D+00 -0.263376D+00  0.526726D+00 -0.347124D+00  0.169944D+00
               101           102           103           104           105 
      1   0.894186D+00 -0.900685D+00  0.803605D+00 -0.143760D+01  0.777083D+00
      2   0.586380D+00 -0.687610D+00  0.124368D+01 -0.102196D+01  0.780718D+00
      3  -0.745933D+00  0.266326D+00  0.804357D+00 -0.694101D+00  0.817199D+00
               106           107           108           109           110 
      1  -0.873882D+00  0.298323D+01 -0.279486D+01  0.139142D+01 -0.390467D+00
      2  -0.370853D+01  0.693776D+00 -0.427412D+01  0.298664D+00 -0.193137D+00
      3  -0.153679D+00  0.381850D+00 -0.229051D+00 -0.277832D+02  0.658915D+01
               111           112           113           114           115 
      1   0.106756D+01 -0.401366D+00  0.155282D+00 -0.577683D+00  0.371737D+00
      2  -0.277425D+01 -0.462584D-01 -0.170560D+00  0.349147D+00 -0.278008D+01
      3  -0.134911D+01  0.404887D+01 -0.184744D+01  0.143717D+00 -0.390433D+01
               116           117           118           119           120 
      1   0.535817D+00  0.290764D+00  0.356792D+00 -0.509849D+00 -0.836010D+00
      2   0.318825D+00 -0.260982D+00 -0.211388D+00  0.706783D-01  0.675644D+00
      3   0.109410D+01 -0.148562D+00 -0.407254D+01 -0.201164D+00 -0.592140D+00
               121           122           123           124           125 
      1  -0.698136D-01  0.200933D+01 -0.309352D+00  0.115554D+00  0.996702D+00
      2   0.564339D+00 -0.152365D+01  0.313993D+01 -0.404065D-01  0.178084D+01
      3  -0.107449D+01 -0.184890D+02  0.194050D+01 -0.119118D-02  0.250401D+01
               126           127           128           129           130 
      1  -0.301657D+00 -0.279218D+01  0.155891D+01  0.167464D+01  0.120971D+01
      2  -0.381258D+00 -0.101251D+01  0.264499D+00 -0.691248D+00  0.509310D+00
      3  -0.972142D+00 -0.106625D+02  0.511145D+01  0.256198D+01  0.781244D+01
               131           132           133           134           135 
      1  -0.222348D+01 -0.264830D+01  0.394129D+00 -0.114869D+01 -0.533247D+00
      2  -0.320429D+00  0.686664D+00 -0.104998D+01  0.454287D+00  0.656861D+00
      3  -0.813189D+01 -0.104801D+01  0.327553D+01 -0.153929D+01 -0.104506D+01
               136           137           138           139           140 
      1   0.228699D+01 -0.326157D+00  0.269808D+01  0.295592D+00  0.747463D+00
      2   0.281075D+01  0.795748D+00  0.243327D+01  0.134235D+00  0.103362D+01
      3  -0.121546D+02 -0.822583D+01 -0.287199D+01 -0.236618D+01 -0.354000D+01
               141           142           143           144 
      1  -0.365895D+00  0.125810D+01  0.400139D+00  0.122856D+01
      2  -0.791501D+00  0.572458D+00 -0.104083D+01  0.583660D+00
      3  -0.130206D+01 -0.482981D+01 -0.306763D+01 -0.830695D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.163186D+02  0.190634D+01 -0.183027D+00  0.104220D+01  0.240722D+02
      2   0.897260D+01 -0.475849D+01  0.177311D+01 -0.102249D+01 -0.302338D+02
      3   0.734600D+01  0.285215D+01 -0.159008D+01 -0.197053D-01  0.616157D+01
      4  -0.542552D+01 -0.407249D-02 -0.814475D+00 -0.399313D+01  0.792715D+01
      5  -0.188764D+01 -0.187590D+01 -0.730718D+01  0.428600D+00  0.897768D+00
      6   0.703846D+00 -0.295049D+00 -0.445700D+01  0.229440D+00  0.156978D+01
                 6             7             8             9            10 
      1  -0.263152D+01 -0.733841D+01 -0.559044D+01 -0.254260D+01 -0.278100D+01
      2  -0.167982D+00  0.557226D+01  0.421063D+01 -0.623914D+01  0.657219D+01
      3   0.279950D+01  0.176615D+01  0.137981D+01  0.878174D+01 -0.379119D+01
      4  -0.672227D+00  0.510693D+00 -0.160032D+01 -0.104246D+01 -0.469645D+01
      5  -0.214731D+01  0.289052D+01  0.979085D+00 -0.472426D+01 -0.167016D-01
      6  -0.869460D+01 -0.674508D+00  0.177124D+01  0.343209D+01 -0.106719D+01
                11            12            13            14            15 
      1  -0.909987D+01  0.603911D+00 -0.149651D+02 -0.360385D+02  0.118131D+01
      2   0.721250D+01 -0.664538D+00  0.916990D+01  0.530577D+02 -0.645887D+00
      3   0.188737D+01  0.606268D-01  0.579518D+01 -0.170192D+02 -0.535422D+00
      4   0.158998D+02 -0.935064D+00  0.141108D+02 -0.274254D+02  0.109872D+01
      5  -0.384072D+00  0.528445D+01 -0.155095D+01 -0.334333D+00 -0.421236D+01
      6  -0.276661D+00  0.113876D+01 -0.107428D+01 -0.246791D+01  0.154267D+02
                16            17            18            19            20 
      1   0.280755D+01  0.390392D+01 -0.987586D+01  0.628468D+02  0.144880D+01
      2  -0.234395D+01 -0.289426D+01  0.682648D+01 -0.372948D+02 -0.558943D+00
      3  -0.463600D+00 -0.100965D+01  0.304938D+01 -0.255521D+02 -0.889861D+00
      4  -0.111822D+01  0.175064D+01 -0.723325D+01  0.977043D+00  0.109303D+02
      5   0.377296D+01 -0.815565D+01  0.231783D+01  0.447254D+01  0.117239D+01
      6   0.563952D+00  0.139892D+02 -0.394319D+01  0.771907D+00  0.488242D+00
                21            22            23            24            25 
      1   0.250067D+01 -0.800651D+01  0.435511D+01 -0.620375D+00  0.691685D+01
      2  -0.241872D+01  0.412727D+01 -0.560331D+00  0.918309D+00 -0.626919D+01
      3  -0.819522D-01  0.387924D+01 -0.379478D+01 -0.297935D+00 -0.647653D+00
      4   0.872616D+00  0.125116D+02 -0.137084D+02  0.319637D+01  0.148847D+01
      5   0.168211D+02 -0.425501D+00  0.321384D+01 -0.544931D+00  0.192895D+02
      6   0.132830D+01  0.182076D+00  0.105698D+00  0.434514D+01 -0.116693D+01
                26            27            28            29            30 
      1   0.108249D+01  0.972495D+01 -0.138326D+01  0.590468D+01  0.150709D+01
      2  -0.925992D-01 -0.112803D+02  0.225188D+01 -0.530389D+01  0.388943D+01
      3  -0.989887D+00  0.155531D+01 -0.868626D+00 -0.600786D+00 -0.539653D+01
      4   0.366483D+01 -0.942587D-01 -0.129077D+01 -0.334959D+01 -0.279462D-01
      5   0.185179D+01  0.705222D+01 -0.154423D+01  0.184138D+01  0.567222D+00
      6   0.375356D+01 -0.149861D+00 -0.197281D+01  0.139407D+01 -0.245795D+01
                31            32            33            34            35 
      1   0.186283D+01 -0.144217D+01  0.447184D+01  0.177120D+01  0.307547D+01
      2   0.330696D+00 -0.196750D+01  0.305470D+01  0.314210D+01 -0.873417D+00
      3  -0.219353D+01  0.340967D+01 -0.752654D+01 -0.491330D+01 -0.220205D+01
      4  -0.860276D+01 -0.689764D+01  0.182792D+01 -0.157511D+01  0.215721D+01
      5   0.109565D+01  0.975210D+00 -0.274372D+01  0.149205D+01  0.154585D+01
      6   0.170538D+01  0.148733D+01 -0.368589D+01  0.311871D+01  0.757807D+00
                36            37            38            39            40 
      1   0.838243D+01  0.112543D+01 -0.680459D+01  0.212585D+01 -0.131437D+01
      2   0.774091D+01 -0.123119D+01  0.435059D+01  0.229920D+01 -0.162812D+01
      3  -0.161233D+02  0.105759D+00  0.245400D+01 -0.442505D+01  0.294249D+01
      4   0.464974D+01 -0.971444D+00 -0.359230D+01 -0.246395D+00 -0.819699D+01
      5   0.820217D+00 -0.417715D+00 -0.142899D+01 -0.159002D+00 -0.926846D+00
      6  -0.128874D+01  0.184604D+01  0.502217D+00  0.324629D+01  0.281398D+01
                41            42            43            44            45 
      1  -0.131973D+01 -0.438031D+01  0.385489D+01 -0.353102D+01  0.897157D+01
      2  -0.257403D+01 -0.305570D+01  0.268958D+01 -0.765048D+00  0.627921D+01
      3   0.389377D+01  0.743600D+01 -0.654447D+01  0.429607D+01 -0.152508D+02
      4   0.201433D+01  0.194028D+01  0.472681D-01  0.125331D+01 -0.548908D+01
      5  -0.244445D-01  0.261102D+01  0.783602D+00 -0.196926D+01  0.103350D+01
      6  -0.171934D+01 -0.359315D+01 -0.302725D+01  0.114279D+01  0.116829D+01
                46            47            48            49            50 
      1  -0.432911D+02  0.738241D+01 -0.178772D+01  0.173109D+02  0.118721D+02
      2   0.283877D+02 -0.207135D+01  0.440725D+01 -0.111838D+02 -0.154891D+02
      3   0.149034D+02 -0.531107D+01 -0.261954D+01 -0.612712D+01  0.361701D+01
      4   0.919528D+01 -0.109078D+02  0.715327D+00  0.225125D+01  0.436344D+01
      5  -0.502888D+01  0.209759D+01 -0.127433D+02  0.261103D+01  0.855630D+00
      6   0.208163D+00 -0.827539D+00  0.399224D+01  0.137173D+01 -0.302313D+00
                51            52            53            54            55 
      1   0.362407D+01 -0.996965D+01  0.554384D+01 -0.684076D+01  0.943079D+02
      2  -0.971837D+00  0.758142D+01 -0.282723D+01 -0.211083D+01 -0.567421D+02
      3  -0.265223D+01  0.238823D+01 -0.271660D+01  0.895158D+01 -0.375658D+02
      4   0.101264D+01  0.209418D+01 -0.311179D+01  0.274658D+01 -0.632585D+01
      5   0.614809D+01  0.922087D+00  0.128426D+01 -0.688382D+01  0.860429D+01
      6  -0.713205D+01 -0.233150D-01  0.222333D+01 -0.222672D+01 -0.113612D+01
                56            57            58            59            60 
      1  -0.123065D+02  0.488498D+01 -0.108555D+02  0.966343D+01 -0.126341D+01
      2   0.895197D+01 -0.505474D+01  0.784116D+01 -0.221695D+01  0.109061D+01
      3   0.335449D+01  0.169758D+00  0.301435D+01 -0.744648D+01  0.172800D+00
      4   0.232604D+02 -0.811505D+00  0.195239D+02 -0.888001D+01  0.257343D+01
      5  -0.187194D+01  0.237712D+02 -0.175418D+01  0.262276D+01 -0.500737D+01
      6   0.146643D+01 -0.130026D+01  0.118437D+01 -0.157199D+00  0.558181D+01
                61            62            63            64            65 
      1   0.941423D+01 -0.272722D+01  0.142375D+02  0.140748D+02 -0.867870D+01
      2  -0.885151D+01  0.202645D+01 -0.144759D+02 -0.617891D+01  0.159858D+02
      3  -0.562717D+00  0.700774D+00  0.238431D+00 -0.789586D+01 -0.730710D+01
      4  -0.251818D+01  0.462575D+01 -0.208178D+01  0.159983D+02  0.146011D+02
      5   0.250528D+02 -0.374851D+01  0.114159D+02 -0.262060D+01 -0.139284D+01
      6   0.141635D+01  0.440911D+01  0.147067D+00 -0.313591D+01 -0.335824D+01
                66            67            68            69            70 
      1   0.213235D+00 -0.536543D+01 -0.286118D+01  0.103338D+01 -0.480392D+00
      2  -0.724690D+00  0.898413D+01  0.102724D+02 -0.338221D+01  0.140741D+01
      3   0.511455D+00 -0.361870D+01 -0.741119D+01  0.234883D+01 -0.927014D+00
      4  -0.287193D+01  0.140941D+02  0.187502D+02 -0.190871D+01 -0.170337D+01
      5   0.705371D+01 -0.107776D+01 -0.393677D+01  0.358810D+01  0.578435D+01
      6   0.441570D+01 -0.169853D+01 -0.512584D+01  0.917188D+01  0.355790D+01
                71            72            73            74            75 
      1   0.443678D+01 -0.451946D+01 -0.362627D+01 -0.276253D+01 -0.272105D+01
      2  -0.301617D+01 -0.768352D+00  0.368056D+01  0.161978D+01  0.160475D+00
      3  -0.142061D+01  0.528781D+01 -0.542866D-01  0.114275D+01  0.256058D+01
      4  -0.239834D+01  0.469259D+01  0.279544D+01  0.116093D+01  0.203364D+01
      5   0.321447D+01 -0.296910D+01 -0.237492D+01  0.416020D-01  0.477415D+01
      6   0.816329D+01 -0.366620D+01  0.341492D+01 -0.971334D+00 -0.172421D+00
                76            77            78            79            80 
      1  -0.136419D+01 -0.178059D+02 -0.171372D+01 -0.209210D+01 -0.479339D+01
      2  -0.136749D+01  0.288699D+02  0.280755D+01  0.141161D+01  0.363200D+01
      3   0.273168D+01 -0.110640D+02 -0.109383D+01  0.680494D+00  0.116139D+01
      4   0.130672D+02 -0.186849D+02 -0.390881D+01  0.454658D+01 -0.548234D+01
      5   0.177961D+01 -0.350456D+01 -0.469981D+01  0.471539D+01 -0.338246D+01
      6  -0.307611D+01  0.723406D+01  0.113970D+02 -0.183970D+01  0.939522D+01
                81            82            83            84            85 
      1  -0.693887D+01  0.911019D+01  0.283212D+01  0.109034D+01 -0.151518D+01
      2   0.149810D+01 -0.199362D+01 -0.269546D+00 -0.109612D+01  0.196096D+01
      3   0.544077D+01 -0.711657D+01 -0.256257D+01  0.577593D-02 -0.445772D+00
      4  -0.347764D+01  0.197378D+02  0.199882D+02  0.145244D+01  0.823692D+01
      5  -0.379634D+01  0.880118D+00  0.180177D+00  0.695426D+01 -0.531757D+00
      6   0.512878D+01  0.302492D+01 -0.127571D+00  0.467263D+00 -0.169098D+01
                86            87            88            89            90 
      1  -0.225021D+02 -0.148604D+01  0.146764D+01 -0.261366D+01 -0.791074D+01
      2   0.361618D+02  0.812174D+00 -0.128343D+01  0.178462D+01  0.446404D+01
      3  -0.136597D+02  0.673865D+00 -0.184211D+00  0.829039D+00  0.344670D+01
      4   0.182993D+02 -0.319596D+00  0.250188D+01  0.184842D+01  0.631557D+01
      5  -0.589482D+00  0.132329D+01  0.412728D+01  0.645876D+01  0.129019D+01
      6   0.908334D+00  0.128971D+02 -0.374948D+00  0.122257D+02  0.244156D+01
                91            92            93            94            95 
      1  -0.188328D+01 -0.109047D+01 -0.311528D+01 -0.156584D+01 -0.263735D+01
      2  -0.362006D+01 -0.314683D+00 -0.213483D+01 -0.671031D+00 -0.124748D+01
      3   0.550334D+01  0.140516D+01  0.525011D+01  0.223687D+01  0.388483D+01
      4  -0.119204D+01  0.107592D+01 -0.810534D+00  0.225709D+01 -0.650933D+00
      5   0.169552D+01  0.123212D+00  0.472549D+01  0.393830D+00 -0.255728D+00
      6   0.269165D+00  0.800364D+00 -0.188401D+00  0.748920D+00  0.120234D+01
                96            97            98            99           100 
      1  -0.214364D+01 -0.326488D+01 -0.433679D+00 -0.176763D+02 -0.245691D+01
      2  -0.283340D+01 -0.249661D+01 -0.231554D+01 -0.148428D+02 -0.291652D+01
      3   0.497704D+01  0.576149D+01  0.274922D+01  0.325192D+02  0.537343D+01
      4  -0.982500D+00 -0.377571D+00 -0.232039D+01 -0.109482D+01  0.150217D+01
      5  -0.189987D+00  0.430954D+01 -0.225111D+00 -0.238531D+01  0.160223D+01
      6   0.537490D+01 -0.315430D+00  0.444023D+01 -0.942907D+00 -0.284459D+00
               101           102           103           104           105 
      1   0.145672D+01 -0.336049D+01  0.200329D+01 -0.244611D+01  0.243057D+01
      2   0.128940D+00 -0.185835D+01  0.499610D+00 -0.147811D+01  0.280334D+01
      3  -0.158566D+01  0.521884D+01 -0.250290D+01  0.392421D+01 -0.523391D+01
      4   0.160988D+01  0.812938D+00  0.221746D+01  0.101839D+01 -0.122926D+01
      5  -0.261932D+00  0.477465D+01 -0.556356D+00 -0.161544D+00  0.355709D+00
      6   0.851180D+00  0.102717D+00  0.839019D+00 -0.148717D+01  0.524543D+01
               106           107           108           109           110 
      1  -0.474446D+01  0.102642D+01 -0.182105D+02 -0.105699D+02  0.403104D+01
      2  -0.228523D+01  0.274016D+01 -0.135998D+02  0.527490D+01 -0.483390D+01
      3   0.702970D+01 -0.376658D+01  0.318103D+02  0.529495D+01  0.802858D+00
      4   0.751983D+00 -0.217291D+01  0.180609D+01 -0.159135D+02 -0.111087D+02
      5   0.418760D+01  0.165893D+00 -0.228470D+01 -0.826616D+00  0.163001D+00
      6   0.609043D+00  0.438149D+01  0.942873D+00 -0.244004D+01 -0.592949D+00
               111           112           113           114           115 
      1   0.115875D+00  0.176251D+01 -0.547915D+01  0.112556D-01 -0.998288D+00
      2  -0.142293D+00 -0.155744D+01  0.753141D+01 -0.179341D+00  0.437816D+00
      3   0.264183D-01 -0.205068D+00 -0.205226D+01  0.168085D+00  0.560472D+00
      4  -0.903181D+00  0.802991D+00  0.153299D+01  0.788149D-03 -0.222564D+01
      5  -0.486347D+01  0.456172D-01 -0.294493D+00  0.577810D+00  0.282183D+00
      6  -0.129202D+01 -0.204899D-01 -0.159217D+00  0.171755D+01 -0.149717D+00
               116           117           118           119           120 
      1   0.543960D+00 -0.194537D+01  0.576775D+01  0.584759D+01 -0.552775D+00
      2  -0.784637D+00  0.670852D+00 -0.190562D+01 -0.231975D+01  0.800336D+00
      3   0.240677D+00  0.127452D+01 -0.386213D+01 -0.352784D+01 -0.247561D+00
      4  -0.146475D+01  0.239822D+00  0.677733D+01  0.461605D+01  0.155866D+00
      5   0.538783D+00 -0.315334D+00 -0.868676D+00  0.274573D+00  0.192476D+01
      6   0.245194D+01 -0.339922D+00 -0.209107D+00  0.251069D+00  0.115401D+01
               121           122           123           124           125 
      1   0.186846D+02  0.365434D+01  0.143963D+01 -0.266613D+01 -0.320068D-01
      2  -0.103093D+02 -0.662070D+00 -0.159319D+01  0.166545D+01 -0.256149D-01
      3  -0.837534D+01 -0.299227D+01  0.153560D+00  0.100068D+01  0.576217D-01
      4   0.750454D+01  0.211022D+02 -0.940552D+00  0.312981D+00 -0.171113D+01
      5   0.190175D+01 -0.126389D+01  0.481096D+01  0.326154D+01  0.250094D+01
      6   0.115646D+01  0.820699D+00  0.280708D+00  0.681192D+00  0.152928D+01
               126           127           128           129           130 
      1   0.989987D+00 -0.472320D+01  0.774575D+01 -0.891670D+00  0.563665D+01
      2  -0.949653D+00  0.423512D+01 -0.108092D+02 -0.541489D+00 -0.546721D+01
      3  -0.403343D-01  0.488086D+00  0.306346D+01  0.143316D+01 -0.169432D+00
      4   0.267428D+01 -0.553492D+01 -0.880292D+00  0.134767D+01  0.395557D+01
      5  -0.132032D+00  0.110551D+01 -0.663534D+00 -0.132629D+01 -0.100004D+01
      6   0.523446D+00  0.142143D+01  0.208404D+01 -0.165403D+01 -0.484156D+00
               131           132           133           134           135 
      1  -0.157132D+02 -0.427368D-01  0.205105D+01 -0.194863D+01 -0.238874D+01
      2   0.236700D+02  0.985275D+00 -0.130790D+01  0.295208D+01  0.246196D+01
      3  -0.795684D+01 -0.942538D+00 -0.743153D+00 -0.100345D+01 -0.732166D-01
      4   0.331808D+01 -0.572710D+00  0.119983D+01  0.137206D+01  0.164952D-01
      5   0.651456D+00  0.167866D+01  0.835984D+00  0.580581D+00  0.107229D+01
      6  -0.141787D+01  0.412317D+01 -0.440038D+00  0.386325D+01  0.753293D-01
               136           137           138           139           140 
      1   0.130665D+02  0.214184D+01  0.260595D+01 -0.332818D+01  0.366534D+01
      2  -0.412510D+01 -0.698716D+01 -0.211981D+00  0.247758D+00 -0.120821D+01
      3  -0.894137D+01  0.484532D+01 -0.239397D+01  0.308042D+01 -0.245713D+01
      4  -0.156670D+02  0.131444D+02 -0.469876D+00  0.520881D+01 -0.211275D+01
      5  -0.497295D+00  0.148487D+01  0.292414D+01 -0.432693D+00  0.114858D+01
      6  -0.141476D+01 -0.138827D+01 -0.432319D+01  0.900953D-01 -0.991810D+00
               141           142           143           144 
      1   0.423313D+00  0.175296D+01  0.239081D+01  0.109215D+01
      2  -0.309638D+00 -0.587760D+00 -0.341782D+01 -0.112542D+01
      3  -0.113675D+00 -0.116520D+01  0.102701D+01  0.332676D-01
      4   0.116115D+01 -0.393578D+01  0.358973D+01 -0.262789D+01
      5  -0.154816D+01  0.324200D+01 -0.167344D+01  0.765709D+00
      6   0.720290D+00 -0.196930D+01  0.194677D+01 -0.180232D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 15:26:40 2021, MaxMem= 10737418240 cpu:           11848.6 elap:             741.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.55184 -19.52513 -19.52297 -19.51090 -19.50636
 Alpha  occ. eigenvalues --  -19.48497 -10.63115 -10.61144 -10.56018 -10.55444
 Alpha  occ. eigenvalues --   -1.29301  -1.26716  -1.22469  -1.19691  -1.19180
 Alpha  occ. eigenvalues --   -1.16297  -0.94629  -0.84837  -0.79387  -0.76336
 Alpha  occ. eigenvalues --   -0.74059  -0.72170  -0.69565  -0.65620  -0.63541
 Alpha  occ. eigenvalues --   -0.62534  -0.60413  -0.58949  -0.58382  -0.57881
 Alpha  occ. eigenvalues --   -0.54829  -0.53713  -0.50310  -0.49122  -0.47853
 Alpha  occ. eigenvalues --   -0.46260  -0.44458  -0.43559  -0.42748
 Alpha virt. eigenvalues --    0.01923   0.03415   0.03857   0.04333   0.05344
 Alpha virt. eigenvalues --    0.06287   0.07364   0.07767   0.09066   0.09650
 Alpha virt. eigenvalues --    0.09747   0.11645   0.12666   0.13299   0.13870
 Alpha virt. eigenvalues --    0.14330   0.14783   0.15109   0.16876   0.17459
 Alpha virt. eigenvalues --    0.18227   0.18879   0.20793   0.20863   0.21560
 Alpha virt. eigenvalues --    0.22656   0.23196   0.23470   0.24772   0.25677
 Alpha virt. eigenvalues --    0.27486   0.28737   0.28826   0.29572   0.29829
 Alpha virt. eigenvalues --    0.30092   0.31241   0.32106   0.32183   0.33350
 Alpha virt. eigenvalues --    0.35091   0.35859   0.36148   0.36956   0.37832
 Alpha virt. eigenvalues --    0.38336   0.38823   0.39234   0.40376   0.41144
 Alpha virt. eigenvalues --    0.41274   0.42481   0.43008   0.43140   0.44785
 Alpha virt. eigenvalues --    0.46418   0.47080   0.48027   0.48676   0.49449
 Alpha virt. eigenvalues --    0.49693   0.50328   0.50782   0.51742   0.52870
 Alpha virt. eigenvalues --    0.53736   0.54082   0.54362   0.56129   0.56634
 Alpha virt. eigenvalues --    0.57859   0.58874   0.59188   0.59731   0.60993
 Alpha virt. eigenvalues --    0.62014   0.62053   0.63237   0.63355   0.64642
 Alpha virt. eigenvalues --    0.65354   0.66826   0.67716   0.69200   0.69317
 Alpha virt. eigenvalues --    0.69700   0.70747   0.71629   0.71747   0.72025
 Alpha virt. eigenvalues --    0.72702   0.73698   0.74548   0.75118   0.75819
 Alpha virt. eigenvalues --    0.76987   0.77717   0.79198   0.80098   0.82257
 Alpha virt. eigenvalues --    0.82311   0.83120   0.84500   0.85458   0.86742
 Alpha virt. eigenvalues --    0.88706   0.89147   0.90926   0.92422   0.93208
 Alpha virt. eigenvalues --    0.95335   0.96659   1.01166   1.02240   1.04243
 Alpha virt. eigenvalues --    1.06378   1.07376   1.08051   1.08692   1.11277
 Alpha virt. eigenvalues --    1.12086   1.14524   1.15477   1.17729   1.18223
 Alpha virt. eigenvalues --    1.19901   1.22903   1.24382   1.27445   1.28712
 Alpha virt. eigenvalues --    1.29935   1.33860   1.35750   1.44633   1.45876
 Alpha virt. eigenvalues --    1.49754   1.50799   1.53723   1.54572   1.57658
 Alpha virt. eigenvalues --    1.58718   1.59079   1.63169   1.64300   1.64508
 Alpha virt. eigenvalues --    1.66713   1.70419   1.72750   1.74178   1.75971
 Alpha virt. eigenvalues --    1.77330   1.80821   1.83299   1.83742   1.86410
 Alpha virt. eigenvalues --    1.88657   1.89712   1.90892   1.93186   1.94013
 Alpha virt. eigenvalues --    1.95721   1.97618   1.98778   2.00108   2.01883
 Alpha virt. eigenvalues --    2.03724   2.04697   2.05380   2.07769   2.10057
 Alpha virt. eigenvalues --    2.11004   2.12104   2.15432   2.16456   2.19725
 Alpha virt. eigenvalues --    2.20677   2.24072   2.26715   2.28172   2.29791
 Alpha virt. eigenvalues --    2.35063   2.36597   2.37281   2.39724   2.40369
 Alpha virt. eigenvalues --    2.42695   2.45914   2.47848   2.49272   2.57748
 Alpha virt. eigenvalues --    2.58759   2.60639   2.64565   2.70457   2.84609
 Alpha virt. eigenvalues --    2.93639   2.95083   2.99723   3.00547   3.03028
 Alpha virt. eigenvalues --    3.03580   3.05976   3.07309   3.08396   3.11982
 Alpha virt. eigenvalues --    3.12971   3.14731   3.14950   3.17115   3.18238
 Alpha virt. eigenvalues --    3.20559   3.29196   3.29902   3.31922   3.33303
 Alpha virt. eigenvalues --    3.49318   3.52211   3.57324   3.60441   3.62023
 Alpha virt. eigenvalues --    3.67272   3.84233   3.86242   3.96921   3.98622
 Alpha virt. eigenvalues --    4.01526   4.07208
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.512016  -0.037833  -0.025543  -0.796356  -0.002676   0.034697
     2  O   -0.037833   8.160320   0.117100   0.194794  -0.021655  -0.008748
     3  O   -0.025543   0.117100   7.892146   0.071740  -0.024032  -0.011675
     4  C   -0.796356   0.194794   0.071740   5.904473   0.126341  -0.150430
     5  C   -0.002676  -0.021655  -0.024032   0.126341   5.652451  -0.445934
     6  C    0.034697  -0.008748  -0.011675  -0.150430  -0.445934   6.168279
     7  O   -0.001904   0.000932   0.000990  -0.010255   0.021573   0.377741
     8  O    0.076251  -0.011779  -0.035020   0.128029  -0.097524   0.009171
     9  O   -0.042930   0.007207   0.011976  -0.052481   0.324654  -0.161750
    10  O   -0.011654  -0.050690   0.001402   0.004831  -0.033657   0.132565
    11  H    0.021128  -0.025538   0.004822   0.341879   0.023203  -0.093943
    12  H    0.013045  -0.006712  -0.012220   0.062146   0.336959  -0.106804
    13  H    0.058203  -0.061947  -0.014598  -0.031402  -0.020830   0.070853
    14  H    0.136400  -0.033397   0.179171  -0.028721   0.016806   0.002026
    15  H   -0.039273   0.006144   0.004052   0.073151   0.003222   0.006995
    16  H   -0.003336   0.001924  -0.000219   0.011184   0.084682  -0.049282
               7          8          9         10         11         12
     1  C   -0.001904   0.076251  -0.042930  -0.011654   0.021128   0.013045
     2  O    0.000932  -0.011779   0.007207  -0.050690  -0.025538  -0.006712
     3  O    0.000990  -0.035020   0.011976   0.001402   0.004822  -0.012220
     4  C   -0.010255   0.128029  -0.052481   0.004831   0.341879   0.062146
     5  C    0.021573  -0.097524   0.324654  -0.033657   0.023203   0.336959
     6  C    0.377741   0.009171  -0.161750   0.132565  -0.093943  -0.106804
     7  O    7.890748   0.008089  -0.050641   0.000412   0.006056   0.018630
     8  O    0.008089   7.986432  -0.002168   0.000197  -0.131228  -0.014514
     9  O   -0.050641  -0.002168   8.023922  -0.004322  -0.017074  -0.105998
    10  O    0.000412   0.000197  -0.004322   7.893783   0.018804  -0.002157
    11  H    0.006056  -0.131228  -0.017074   0.018804   0.834246   0.036121
    12  H    0.018630  -0.014514  -0.105998  -0.002157   0.036121   0.819472
    13  H   -0.004186   0.001510  -0.000891   0.244354   0.007993   0.007451
    14  H   -0.000402  -0.003957  -0.004646   0.000131   0.014959   0.004369
    15  H   -0.000080   0.277545  -0.004772  -0.000489   0.015748   0.011877
    16  H    0.026959  -0.009797   0.277669  -0.001193  -0.003862   0.009498
              13         14         15         16
     1  C    0.058203   0.136400  -0.039273  -0.003336
     2  O   -0.061947  -0.033397   0.006144   0.001924
     3  O   -0.014598   0.179171   0.004052  -0.000219
     4  C   -0.031402  -0.028721   0.073151   0.011184
     5  C   -0.020830   0.016806   0.003222   0.084682
     6  C    0.070853   0.002026   0.006995  -0.049282
     7  O   -0.004186  -0.000402  -0.000080   0.026959
     8  O    0.001510  -0.003957   0.277545  -0.009797
     9  O   -0.000891  -0.004646  -0.004772   0.277669
    10  O    0.244354   0.000131  -0.000489  -0.001193
    11  H    0.007993   0.014959   0.015748  -0.003862
    12  H    0.007451   0.004369   0.011877   0.009498
    13  H    0.565650   0.001631  -0.000663  -0.000594
    14  H    0.001631   0.493567   0.005348   0.000096
    15  H   -0.000663   0.005348   0.475739   0.002062
    16  H   -0.000594   0.000096   0.002062   0.384526
 Mulliken charges:
               1
     1  C    0.109766
     2  O   -0.230121
     3  O   -0.160091
     4  C    0.151077
     5  C    0.056416
     6  C    0.226240
     7  O   -0.284664
     8  O   -0.181236
     9  O   -0.197754
    10  O   -0.192316
    11  H   -0.053316
    12  H   -0.071162
    13  H    0.177466
    14  H    0.216621
    15  H    0.163393
    16  H    0.269681
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.109766
     2  O   -0.230121
     3  O    0.056529
     4  C    0.097761
     5  C   -0.014746
     6  C    0.226240
     7  O   -0.284664
     8  O   -0.017843
     9  O    0.071926
    10  O   -0.014849
 Electronic spatial extent (au):  <R**2>=           1427.3707
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.0258    Y=              2.6945    Z=             -0.0314  Tot=              3.3712
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -68.8622   YY=            -62.0628   ZZ=            -56.0327
   XY=              1.1599   XZ=             -2.1009   YZ=             -0.6165
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.5430   YY=              0.2565   ZZ=              6.2865
   XY=              1.1599   XZ=             -2.1009   YZ=             -0.6165
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             28.9358  YYY=             16.7970  ZZZ=             -0.0571  XYY=             -1.7635
  XXY=             22.5941  XXZ=              3.1788  XZZ=              0.5547  YZZ=             -1.9724
  YYZ=             -2.1826  XYZ=              6.2876
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1141.7041 YYYY=           -536.7048 ZZZZ=            -96.0411 XXXY=             10.4202
 XXXZ=            -19.7564 YYYX=              1.8479 YYYZ=             -6.6176 ZZZX=              0.9895
 ZZZY=             -0.5268 XXYY=           -272.0294 XXZZ=           -194.3355 YYZZ=           -115.0944
 XXYZ=              3.3298 YYXZ=              4.3932 ZZXY=             -0.0210
 N-N= 5.825656445576D+02 E-N=-2.587011748624D+03  KE= 6.007161902450D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 15:26:41 2021, MaxMem= 10737418240 cpu:               4.9 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.93647824D-01 1.05583078D+00-1.16623924D-02
 Polarizability= 8.08764244D+01 1.14712420D-02 7.21132048D+01
                 2.28734473D+00-4.23094189D-01 4.78161568D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.1346   -1.1385       -0.0176   -0.0170
 2      1.1346    1.1385        0.2501    0.2502       -4.2600   -4.2526
 3      0.0176    0.0170       15.8945   15.8867       -0.2500   -0.2502
 4     -0.2501   -0.2502        0.0000    0.0000        0.0173    0.0170
 5    -11.6346  -11.6341       -0.0173   -0.0170       -1.1381   -1.1385
 6      0.2500    0.2502        1.1381    1.1385       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        3.4154    3.4154       -0.0510   -0.0510
 2     -0.7506   -0.7506       -0.0000    0.0000       -0.0510   -0.0510
 3     -0.7506   -0.7506        3.4154    3.4154        0.0000    0.0000
 4      3.4154    3.4154        0.7506    0.7506      -12.7578  -12.7578
 5      0.0510    0.0510       47.6602   47.6602       -0.7506   -0.7506
 6    -34.9024  -34.9024       -0.0510   -0.0510       -3.4154   -3.4154
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1623    0.0000        4.7281    4.5538        0.4455    0.0680
 2     -4.7231   -4.5538       -1.1155   -1.0008       16.8931   17.0103
 3     -0.2237   -0.0680      -63.8245  -63.5469        1.3337    1.0008
 4      1.0096    1.0008       -0.0194    0.0000        0.1444   -0.0680
 5     46.6116   46.5366       -0.0021    0.0680        4.5862    4.5538
 6     -1.0054   -1.0008       -4.3697   -4.5538        0.0686    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0506    0.0000      -19.0858  -19.3587        2.4860    2.4186
 2     19.1431   19.3587       -4.3019   -4.6729       16.6091   16.3765
 3     -2.2903   -2.4186       -6.0657   -5.6467        4.0139    4.6729
 4      4.8979    4.6729       -0.1158    0.0000       -2.7404   -2.4186
 5    -11.0119  -10.7299        1.8669    2.4186      -18.5763  -19.3587
 6     -4.7674   -4.6729       19.0738   19.3587        0.3200    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.8543   -0.8053      -10.9341  -10.5313       -4.6976   -4.9939
 2      1.0648    0.9630      -32.5395  -32.5538       -5.2888   -4.9939
 3      0.9724    0.9630      -10.5981  -10.5313       -8.4575   -8.3014
 4     21.6321   22.0225       -2.0931   -1.7683       10.7554   10.5796
 5     -2.9577   -3.3075       -3.4478   -2.5977        1.2658    1.7683
 6     -8.9296   -7.9818        2.5123    3.3075      -20.8443  -22.0225
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.8870   -3.1437   -0.0005    0.0006    0.0007    1.1840
 Low frequencies ---   72.1256   87.7194  114.5635
 Diagonal vibrational polarizability:
       43.8185514      27.4081734      31.0639178
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     72.1253                87.7193               114.5634
 Red. masses --      9.0905                 9.3887                11.3872
 Frc consts  --      0.0279                 0.0426                 0.0881
 IR Inten    --      0.2035                 2.2821                 2.7739
 RamAct Fr= 1--      0.4194                 0.1133                 0.7653
  Dep-P Fr= 1--      0.7495                 0.5644                 0.7500
  Dep-U Fr= 1--      0.8568                 0.7215                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0000
 Beta2  Fr= 1--      0.0599                 0.0136                 0.1093
 AlphaG Fr= 1--     -0.0001                -0.0005                 0.0000
 Gamma2 Fr= 1--     -0.0434                 0.0798                 0.2714
 Delta2 Fr= 1--     -0.0297                 0.0807                 0.1965
 Raman1 Fr= 1--       1.677                  0.453                  3.061
 ROA1   Fr= 1--      -5.113                 10.242                 32.343
 CID1   Fr= 1--      -3.048                 22.608                 10.566
 Raman2 Fr= 1--       0.719                  0.163                  1.312
 ROA2   Fr= 1--      -0.803                  1.269                  4.941
 CID2   Fr= 1--      -1.118                  7.764                  3.766
 Raman3 Fr= 1--       1.437                  0.327                  2.624
 ROA3   Fr= 1--      -5.113                 10.242                 32.343
 CID3   Fr= 1--      -3.558                 31.333                 12.327
 RC180  Fr= 1--       0.714                  0.443                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01    -0.01  -0.01  -0.07    -0.02  -0.00  -0.11
     2   8     0.04  -0.06  -0.29    -0.04  -0.02  -0.24     0.05  -0.05  -0.37
     3   8    -0.12   0.08   0.47     0.03  -0.12  -0.07    -0.09   0.07   0.18
     4   6     0.02  -0.03  -0.11     0.05   0.11   0.08    -0.03   0.01  -0.05
     5   6     0.05   0.02  -0.07    -0.04   0.11  -0.09     0.03  -0.02   0.06
     6   6    -0.00   0.00   0.06     0.00  -0.04   0.06     0.03   0.00   0.03
     7   8    -0.07  -0.02   0.34    -0.05  -0.13   0.11     0.16   0.08  -0.40
     8   8     0.02  -0.03  -0.18     0.15   0.06   0.39    -0.05   0.02  -0.07
     9   8     0.06   0.02  -0.11    -0.13   0.08  -0.39     0.03  -0.02   0.17
    10   8     0.02   0.03  -0.13     0.03  -0.04   0.22    -0.10  -0.08   0.50
    11   1     0.01  -0.09  -0.09     0.13   0.33   0.00    -0.10   0.02  -0.03
    12   1     0.09   0.06  -0.07    -0.12   0.31  -0.01     0.10  -0.05   0.02
    13   1     0.04   0.01  -0.29     0.07   0.02   0.05    -0.08  -0.09   0.33
    14   1    -0.17   0.09   0.51     0.09  -0.10   0.10    -0.15   0.09   0.27
    15   1     0.03  -0.02  -0.18     0.13   0.13   0.09    -0.05  -0.02   0.09
    16   1    -0.00   0.00   0.10    -0.16  -0.08  -0.28     0.13   0.04  -0.14
                      4                      5                      6
                      A                      A                      A
 Frequencies --    228.1123               238.8674               323.7049
 Red. masses --      8.6268                 7.1660                 5.2360
 Frc consts  --      0.2645                 0.2409                 0.3233
 IR Inten    --     21.3141                15.7689                19.5821
 RamAct Fr= 1--      0.1629                 0.7247                 0.3681
  Dep-P Fr= 1--      0.3320                 0.7497                 0.0800
  Dep-U Fr= 1--      0.4985                 0.8570                 0.1482
 Alpha2 Fr= 1--      0.0015                 0.0000                 0.0068
 Beta2  Fr= 1--      0.0135                 0.1035                 0.0091
 AlphaG Fr= 1--     -0.0009                 0.0001                -0.0036
 Gamma2 Fr= 1--      0.0165                -0.2645                 0.0663
 Delta2 Fr= 1--      0.0386                -0.1215                 0.0270
 Raman1 Fr= 1--       0.652                  2.899                  1.472
 ROA1   Fr= 1--       2.823                -29.280                  7.227
 CID1   Fr= 1--       4.331                -10.101                  4.908
 Raman2 Fr= 1--       0.162                  1.242                  0.109
 ROA2   Fr= 1--       0.087                 -5.376                  1.375
 CID2   Fr= 1--       0.538                 -4.328                 12.604
 Raman3 Fr= 1--       0.325                  2.484                  0.218
 ROA3   Fr= 1--       2.823                -29.280                  7.227
 CID3   Fr= 1--       8.688                -11.787                 33.130
 RC180  Fr= 1--      -0.003                  0.714                 -0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.20  -0.03  -0.02     0.05  -0.11   0.07     0.10   0.04   0.08
     2   8    -0.26  -0.02  -0.02     0.29  -0.21  -0.11    -0.02   0.06  -0.10
     3   8    -0.18  -0.17   0.02     0.02   0.09  -0.08     0.22  -0.22   0.06
     4   6    -0.10   0.08   0.02    -0.12  -0.16   0.22     0.07   0.05   0.14
     5   6     0.00   0.16   0.13    -0.13   0.09   0.19    -0.01   0.02   0.12
     6   6     0.19  -0.01   0.06    -0.04   0.11   0.07     0.02  -0.01   0.05
     7   8     0.16  -0.15  -0.06    -0.03   0.04  -0.08     0.06   0.09   0.01
     8   8     0.05  -0.00  -0.14    -0.12  -0.17   0.01    -0.09   0.12  -0.17
     9   8    -0.12   0.10   0.10    -0.05   0.14  -0.09    -0.21  -0.07  -0.04
    10   8     0.40   0.08  -0.04     0.11   0.16  -0.07    -0.09  -0.02  -0.04
    11   1    -0.24   0.07   0.06    -0.20  -0.27   0.26     0.03  -0.16   0.20
    12   1     0.08   0.24   0.13    -0.25   0.22   0.26    -0.07   0.10   0.16
    13   1     0.44   0.16   0.00     0.09   0.13   0.01    -0.09  -0.05  -0.06
    14   1    -0.05  -0.18  -0.01    -0.18   0.10  -0.02     0.48  -0.23   0.08
    15   1     0.17   0.10  -0.10    -0.12  -0.13  -0.16    -0.19   0.08  -0.34
    16   1    -0.08  -0.00  -0.01    -0.02   0.14  -0.18    -0.18  -0.31  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    333.7030               363.7008               417.4328
 Red. masses --      7.6208                 5.0553                 5.1811
 Frc consts  --      0.5000                 0.3940                 0.5319
 IR Inten    --     19.6766                 4.1529                12.1503
 RamAct Fr= 1--      3.0043                 0.2297                 0.8676
  Dep-P Fr= 1--      0.2063                 0.5707                 0.6825
  Dep-U Fr= 1--      0.3420                 0.7267                 0.8113
 Alpha2 Fr= 1--      0.0401                 0.0008                 0.0010
 Beta2  Fr= 1--      0.1713                 0.0278                 0.1173
 AlphaG Fr= 1--      0.0118                 0.0032                -0.0049
 Gamma2 Fr= 1--      0.0257                -0.0458                 0.2686
 Delta2 Fr= 1--      0.1785                -0.0409                 0.1103
 Raman1 Fr= 1--      12.017                  0.919                  3.470
 ROA1   Fr= 1--       8.178                 -5.702                 29.313
 CID1   Fr= 1--       0.681                 -6.206                  8.447
 Raman2 Fr= 1--       2.055                  0.334                  1.408
 ROA2   Fr= 1--      -0.811                 -0.771                  5.563
 CID2   Fr= 1--      -0.395                 -2.310                  3.951
 Raman3 Fr= 1--       4.110                  0.668                  2.816
 ROA3   Fr= 1--       8.178                 -5.702                 29.313
 CID3   Fr= 1--       1.990                 -8.540                 10.411
 RC180  Fr= 1--      -0.316                  0.453                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01  -0.04    -0.02   0.01  -0.01    -0.03   0.11   0.06
     2   8    -0.09  -0.00   0.04     0.05  -0.01   0.01    -0.12   0.12  -0.09
     3   8    -0.15   0.10  -0.03    -0.07   0.15  -0.03     0.00   0.07  -0.03
     4   6    -0.07  -0.04   0.01    -0.01   0.02   0.02    -0.02   0.02   0.22
     5   6     0.15  -0.08   0.12     0.00   0.04   0.06    -0.01  -0.03   0.20
     6   6     0.19  -0.05   0.12     0.02  -0.02   0.03    -0.05  -0.10   0.04
     7   8     0.32   0.26   0.06     0.06   0.08   0.01    -0.02  -0.14  -0.07
     8   8    -0.20   0.01   0.13     0.34  -0.12  -0.05     0.09  -0.03  -0.05
     9   8     0.06  -0.13  -0.24    -0.26  -0.08   0.04     0.25   0.09  -0.08
    10   8    -0.04  -0.08  -0.10    -0.12  -0.05  -0.04    -0.10  -0.13  -0.07
    11   1    -0.17   0.03   0.02    -0.08   0.10   0.03    -0.16  -0.06   0.27
    12   1     0.22   0.14   0.15     0.03   0.07   0.06    -0.16   0.02   0.26
    13   1    -0.06  -0.21  -0.05    -0.14  -0.13  -0.01    -0.10  -0.14  -0.08
    14   1    -0.25   0.10  -0.05    -0.21   0.16  -0.07    -0.00   0.07  -0.02
    15   1    -0.35  -0.10  -0.00     0.57   0.15  -0.26     0.11   0.13  -0.55
    16   1     0.04  -0.36  -0.15    -0.25  -0.34   0.06     0.15   0.25   0.20
                     10                     11                     12
                      A                      A                      A
 Frequencies --    473.7899               517.7383               537.6214
 Red. masses --      1.3752                 3.3865                 1.9009
 Frc consts  --      0.1819                 0.5348                 0.3237
 IR Inten    --     28.1515                11.8291                80.1549
 RamAct Fr= 1--      1.0134                 4.1138                 1.1003
  Dep-P Fr= 1--      0.5061                 0.4397                 0.0834
  Dep-U Fr= 1--      0.6721                 0.6108                 0.1540
 Alpha2 Fr= 1--      0.0049                 0.0263                 0.0201
 Beta2  Fr= 1--      0.1135                 0.4188                 0.0282
 AlphaG Fr= 1--      0.0145                 0.0163                 0.0403
 Gamma2 Fr= 1--      0.2347                -1.7510                 0.1916
 Delta2 Fr= 1--      0.0073                -1.0661                 0.0097
 Raman1 Fr= 1--       4.053                 16.455                  4.401
 ROA1   Fr= 1--      22.762               -202.212                 18.700
 CID1   Fr= 1--       5.615                -12.289                  4.249
 Raman2 Fr= 1--       1.362                  5.025                  0.339
 ROA2   Fr= 1--       5.574                -33.496                  4.520
 CID2   Fr= 1--       4.092                 -6.665                 13.339
 Raman3 Fr= 1--       2.724                 10.051                  0.678
 ROA3   Fr= 1--      22.762               -202.212                 18.700
 CID3   Fr= 1--       8.355                -20.119                 27.597
 RC180  Fr= 1--       0.344                  0.222                 -0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.03    -0.05  -0.09   0.01    -0.03  -0.01   0.10
     2   8     0.01  -0.04   0.00     0.14  -0.14   0.06    -0.02  -0.04  -0.03
     3   8    -0.01   0.01  -0.02    -0.06  -0.06  -0.00    -0.03   0.02  -0.04
     4   6     0.02   0.02   0.04    -0.02   0.09  -0.03     0.02   0.02   0.11
     5   6     0.00   0.03   0.01     0.02   0.11  -0.05    -0.01  -0.04  -0.03
     6   6     0.01  -0.03   0.02     0.07  -0.03  -0.04     0.02   0.02  -0.11
     7   8     0.02  -0.02   0.02     0.07  -0.05   0.01    -0.01   0.04   0.02
     8   8     0.01   0.06  -0.07    -0.03   0.13   0.01     0.01   0.05  -0.07
     9   8    -0.00   0.05   0.00    -0.00   0.16   0.04     0.03  -0.06  -0.06
    10   8    -0.05  -0.05  -0.03    -0.11  -0.12  -0.03     0.04   0.02   0.06
    11   1     0.02   0.02   0.04     0.01   0.13  -0.05     0.09  -0.05   0.11
    12   1    -0.03   0.10   0.03     0.06   0.11  -0.06    -0.16  -0.19  -0.01
    13   1    -0.06  -0.10  -0.03    -0.15  -0.27  -0.01     0.07   0.07  -0.02
    14   1    -0.09   0.01  -0.01    -0.01  -0.06   0.00    -0.14   0.04   0.02
    15   1     0.15  -0.06   0.81    -0.16   0.15  -0.49     0.11   0.01   0.39
    16   1     0.15   0.13  -0.46    -0.19   0.10   0.60    -0.25  -0.15   0.75
                     13                     14                     15
                      A                      A                      A
 Frequencies --    589.8038               610.7104               671.8309
 Red. masses --      2.6964                 3.1956                 4.2171
 Frc consts  --      0.5526                 0.7022                 1.1215
 IR Inten    --     46.7171                21.8890                26.7278
 RamAct Fr= 1--      1.5597                 1.5874                 0.5391
  Dep-P Fr= 1--      0.2343                 0.6102                 0.7500
  Dep-U Fr= 1--      0.3797                 0.7579                 0.8571
 Alpha2 Fr= 1--      0.0193                 0.0041                 0.0000
 Beta2  Fr= 1--      0.0987                 0.2005                 0.0770
 AlphaG Fr= 1--     -0.0549                 0.0086                 0.0000
 Gamma2 Fr= 1--      1.1402                 0.8909                -0.7328
 Delta2 Fr= 1--      0.0852                 0.9108                -0.5065
 Raman1 Fr= 1--       6.239                  6.350                  2.156
 ROA1   Fr= 1--     112.190                114.670                -86.559
 CID1   Fr= 1--      17.983                 18.059                -40.140
 Raman2 Fr= 1--       1.184                  2.406                  0.924
 ROA2   Fr= 1--      26.684                 14.094                -13.536
 CID2   Fr= 1--      22.530                  5.857                -14.646
 Raman3 Fr= 1--       2.369                  4.812                  1.848
 ROA3   Fr= 1--     112.190                114.670                -86.559
 CID3   Fr= 1--      47.362                 23.828                -46.830
 RC180  Fr= 1--      -0.241                  0.516                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01   0.17    -0.05  -0.07   0.00    -0.08   0.11  -0.07
     2   8    -0.07  -0.02  -0.07     0.04  -0.12   0.03     0.17   0.06   0.03
     3   8    -0.00   0.06  -0.07    -0.11   0.01  -0.03    -0.06  -0.12   0.04
     4   6     0.06  -0.05   0.08     0.07   0.08   0.06    -0.17   0.09   0.05
     5   6    -0.02   0.02  -0.14     0.05  -0.07   0.06    -0.16  -0.08  -0.01
     6   6     0.08  -0.00  -0.14    -0.06   0.03   0.02    -0.03  -0.08  -0.14
     7   8     0.05   0.04   0.09    -0.09  -0.02  -0.02     0.01   0.18   0.08
     8   8    -0.02  -0.04   0.02     0.06   0.20  -0.03     0.04  -0.02  -0.02
     9   8    -0.03   0.04   0.09     0.05  -0.15  -0.01     0.05  -0.01  -0.01
    10   8     0.02  -0.05   0.04     0.02   0.09   0.01     0.10  -0.12   0.04
    11   1     0.29  -0.23   0.05     0.03   0.15   0.06    -0.31   0.19   0.06
    12   1    -0.15  -0.07  -0.13     0.01  -0.10   0.07    -0.36  -0.22   0.02
    13   1     0.04  -0.04  -0.10     0.01   0.10   0.08     0.16   0.05  -0.02
    14   1    -0.14   0.08   0.07    -0.14   0.00  -0.03     0.34  -0.18  -0.20
    15   1    -0.17  -0.03  -0.48    -0.13   0.17  -0.54     0.20   0.13  -0.04
    16   1     0.18   0.16  -0.56     0.25  -0.09  -0.60     0.14   0.22  -0.30
                     16                     17                     18
                      A                      A                      A
 Frequencies --    736.8360               753.8405               757.8937
 Red. masses --      1.2721                 3.9115                 6.0088
 Frc consts  --      0.4069                 1.3096                 2.0335
 IR Inten    --     89.1039                 1.5708                15.9919
 RamAct Fr= 1--      0.8060                 0.0468                 7.4097
  Dep-P Fr= 1--      0.1982                 0.6105                 0.0616
  Dep-U Fr= 1--      0.3308                 0.7581                 0.1161
 Alpha2 Fr= 1--      0.0110                 0.0001                 0.1424
 Beta2  Fr= 1--      0.0444                 0.0059                 0.1434
 AlphaG Fr= 1--      0.0573                -0.0026                -0.0486
 Gamma2 Fr= 1--      0.0134                 0.1445                 0.6084
 Delta2 Fr= 1--      0.1335                 0.0316                -0.0613
 Raman1 Fr= 1--       3.224                  0.187                 29.639
 ROA1   Fr= 1--       5.561                 14.879                 56.445
 CID1   Fr= 1--       1.725                 79.485                  1.904
 Raman2 Fr= 1--       0.533                  0.071                  1.720
 ROA2   Fr= 1--      -0.746                  3.215                 15.092
 CID2   Fr= 1--      -1.399                 45.305                  8.773
 Raman3 Fr= 1--       1.066                  0.142                  3.441
 ROA3   Fr= 1--       5.561                 14.879                 56.445
 CID3   Fr= 1--       5.215                104.845                 16.405
 RC180  Fr= 1--      -0.338                  0.516                 -0.768
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.11   0.10   0.28     0.18  -0.19  -0.15
     2   8     0.01   0.01   0.02     0.07   0.00  -0.09    -0.19  -0.11   0.02
     3   8     0.02  -0.03  -0.06    -0.05  -0.03  -0.03     0.10   0.14   0.07
     4   6    -0.01   0.00  -0.03     0.01   0.00  -0.09     0.11  -0.04   0.00
     5   6    -0.03  -0.01  -0.01    -0.01  -0.01  -0.11    -0.12  -0.03   0.02
     6   6    -0.05  -0.04   0.06    -0.13  -0.09   0.26    -0.16  -0.16   0.06
     7   8    -0.01   0.05  -0.01    -0.01   0.08  -0.07    -0.04   0.19  -0.01
     8   8     0.01   0.01  -0.01     0.02   0.01   0.02     0.02   0.11  -0.00
     9   8     0.01   0.01  -0.00     0.02  -0.02   0.01    -0.04   0.11   0.01
    10   8     0.04  -0.03  -0.01     0.06  -0.04  -0.06     0.16  -0.17  -0.01
    11   1     0.04  -0.00  -0.04     0.36  -0.17  -0.16     0.06   0.08  -0.01
    12   1     0.03   0.02  -0.02     0.33   0.16  -0.16    -0.15   0.06   0.05
    13   1     0.05   0.03   0.02     0.05   0.05   0.16     0.23   0.16   0.04
    14   1    -0.24   0.13   0.95     0.22  -0.12  -0.53    -0.18   0.07  -0.61
    15   1    -0.00   0.00  -0.03     0.04   0.02   0.04    -0.13   0.00  -0.13
    16   1    -0.01   0.04   0.03    -0.03   0.03   0.16    -0.09   0.17   0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    894.4386               905.1655               936.4318
 Red. masses --      1.4505                 2.3246                 4.1013
 Frc consts  --      0.6837                 1.1221                 2.1190
 IR Inten    --     64.7487                30.8030                 0.6842
 RamAct Fr= 1--      0.9879                 0.3440                 3.4536
  Dep-P Fr= 1--      0.5680                 0.4373                 0.1923
  Dep-U Fr= 1--      0.7245                 0.6085                 0.3226
 Alpha2 Fr= 1--      0.0034                 0.0022                 0.0479
 Beta2  Fr= 1--      0.1193                 0.0349                 0.1857
 AlphaG Fr= 1--     -0.0207                -0.0073                 0.0417
 Gamma2 Fr= 1--      0.8738                 0.6182                -0.9066
 Delta2 Fr= 1--      0.5223                 0.3906                -0.1446
 Raman1 Fr= 1--       3.952                  1.376                 13.814
 ROA1   Fr= 1--     100.597                 71.847                -91.664
 CID1   Fr= 1--      25.458                 52.209                 -6.635
 Raman2 Fr= 1--       1.431                  0.419                  2.228
 ROA2   Fr= 1--      16.792                 11.712                -20.603
 CID2   Fr= 1--      11.731                 27.974                 -9.247
 Raman3 Fr= 1--       2.863                  0.837                  4.456
 ROA3   Fr= 1--     100.597                 71.847                -91.664
 CID3   Fr= 1--      35.139                 85.804                -20.571
 RC180  Fr= 1--       0.449                  0.217                 -0.355
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.02   0.05  -0.08    -0.01  -0.04   0.16
     2   8    -0.03  -0.02  -0.02     0.04   0.06  -0.01    -0.05  -0.08  -0.03
     3   8     0.05   0.02   0.01    -0.11  -0.04  -0.01     0.15   0.04   0.00
     4   6    -0.07   0.02   0.01     0.15  -0.06   0.06    -0.21   0.11  -0.10
     5   6    -0.09  -0.04  -0.06     0.12   0.05   0.05     0.22   0.11   0.09
     6   6     0.04   0.02   0.03    -0.05  -0.02  -0.09    -0.05  -0.02  -0.17
     7   8     0.05  -0.02   0.02    -0.08   0.04   0.01    -0.12   0.04   0.01
     8   8     0.01   0.02  -0.01    -0.02  -0.03   0.00    -0.04  -0.04   0.02
     9   8     0.02  -0.02  -0.00    -0.03   0.05   0.01     0.02  -0.03  -0.01
    10   8    -0.01   0.04  -0.04     0.04  -0.06  -0.03     0.05  -0.08   0.01
    11   1    -0.06   0.05  -0.00     0.15  -0.18   0.09    -0.39   0.21  -0.06
    12   1    -0.13  -0.09  -0.06     0.09   0.12   0.07     0.42   0.19   0.05
    13   1    -0.21  -0.16   0.91    -0.09  -0.04   0.83     0.03   0.05   0.31
    14   1    -0.02   0.02   0.01     0.05  -0.04   0.05    -0.07   0.06   0.01
    15   1     0.09   0.09  -0.03    -0.17  -0.19   0.07     0.21   0.21  -0.01
    16   1     0.01   0.14  -0.00    -0.03  -0.17   0.03     0.09  -0.32  -0.14
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1020.2756              1127.1730              1137.4767
 Red. masses --      5.9687                 5.4793                 5.5608
 Frc consts  --      3.6607                 4.1016                 4.2391
 IR Inten    --     17.3205               176.5827                33.6898
 RamAct Fr= 1--      7.0744                 1.6566                 1.5848
  Dep-P Fr= 1--      0.2190                 0.7364                 0.7342
  Dep-U Fr= 1--      0.3593                 0.8482                 0.8467
 Alpha2 Fr= 1--      0.0913                 0.0004                 0.0004
 Beta2  Fr= 1--      0.4236                 0.2342                 0.2236
 AlphaG Fr= 1--      0.0345                 0.0087                 0.0055
 Gamma2 Fr= 1--     -0.9450                 0.5029                -0.1926
 Delta2 Fr= 1--      0.3269                 0.3863                -0.5394
 Raman1 Fr= 1--      28.298                  6.627                  6.339
 ROA1   Fr= 1--     -80.262                 60.638                -35.748
 CID1   Fr= 1--      -2.836                  9.151                 -5.639
 Raman2 Fr= 1--       5.083                  2.810                  2.684
 ROA2   Fr= 1--     -25.296                  8.978                 -0.306
 CID2   Fr= 1--      -4.976                  3.195                 -0.114
 Raman3 Fr= 1--      10.166                  5.620                  5.368
 ROA3   Fr= 1--     -80.262                 60.638                -35.748
 CID3   Fr= 1--      -7.895                 10.789                 -6.660
 RC180  Fr= 1--      -0.281                  0.696                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.04  -0.17    -0.04  -0.01  -0.05    -0.05  -0.01   0.04
     2   8    -0.00   0.01   0.04    -0.01  -0.03   0.01    -0.00  -0.07   0.01
     3   8    -0.01   0.00   0.03     0.01   0.02   0.00     0.01   0.03  -0.01
     4   6    -0.10   0.11   0.38     0.16   0.13  -0.03     0.26   0.41  -0.04
     5   6     0.19   0.10  -0.37    -0.22   0.38   0.05     0.02  -0.18   0.05
     6   6    -0.07  -0.04   0.16     0.02   0.05  -0.02    -0.01  -0.03   0.05
     7   8    -0.02   0.01  -0.05    -0.01   0.01   0.00     0.01  -0.00  -0.00
     8   8    -0.09  -0.09  -0.04    -0.06  -0.10  -0.00    -0.12  -0.24  -0.04
     9   8     0.02  -0.05   0.04     0.11  -0.29   0.01    -0.04   0.10  -0.02
    10   8     0.01  -0.00  -0.02     0.01  -0.08  -0.01    -0.00   0.03  -0.00
    11   1    -0.09   0.10   0.37     0.26   0.02  -0.05     0.07   0.59  -0.05
    12   1     0.22   0.11  -0.37    -0.06   0.59   0.08    -0.26  -0.41   0.07
    13   1     0.05   0.07  -0.15     0.00  -0.07  -0.01    -0.01   0.04   0.05
    14   1    -0.04   0.00   0.01     0.07   0.01   0.03     0.07   0.03   0.05
    15   1     0.29   0.26  -0.05    -0.03  -0.08  -0.00     0.03  -0.09  -0.02
    16   1     0.04  -0.14  -0.00     0.01   0.40   0.14    -0.02  -0.04  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1222.1990              1241.4673              1264.9717
 Red. masses --      1.4129                 1.6103                 1.4161
 Frc consts  --      1.2435                 1.4623                 1.3351
 IR Inten    --     68.1414                10.2251                 5.3623
 RamAct Fr= 1--      4.7231                 2.6178                 5.1766
  Dep-P Fr= 1--      0.5488                 0.5332                 0.1635
  Dep-U Fr= 1--      0.7087                 0.6956                 0.2811
 Alpha2 Fr= 1--      0.0182                 0.0110                 0.0773
 Beta2  Fr= 1--      0.5578                 0.3035                 0.2425
 AlphaG Fr= 1--      0.0017                 0.0082                -0.0102
 Gamma2 Fr= 1--      0.8138                -0.8205                 1.0075
 Delta2 Fr= 1--      0.4197                -0.5570                 0.4226
 Raman1 Fr= 1--      18.892                 10.471                 20.706
 ROA1   Fr= 1--      91.555                -96.593                110.242
 CID1   Fr= 1--       4.846                 -9.225                  5.324
 Raman2 Fr= 1--       6.694                  3.642                  2.910
 ROA2   Fr= 1--      16.174                -15.236                 20.799
 CID2   Fr= 1--       2.416                 -4.184                  7.148
 Raman3 Fr= 1--      13.388                  7.283                  5.820
 ROA3   Fr= 1--      91.555                -96.593                110.242
 CID3   Fr= 1--       6.839                -13.262                 18.943
 RC180  Fr= 1--       0.417                  0.391                 -0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02  -0.00    -0.08   0.02  -0.04    -0.10   0.01  -0.08
     2   8     0.01   0.04  -0.00    -0.01  -0.05   0.01    -0.02  -0.06   0.02
     3   8    -0.05  -0.05   0.00     0.04   0.04   0.01     0.04   0.05   0.01
     4   6    -0.03   0.04  -0.00    -0.02   0.01   0.05    -0.03   0.00   0.01
     5   6    -0.04  -0.04   0.06    -0.02  -0.10   0.01    -0.01   0.02   0.04
     6   6     0.00  -0.02  -0.04    -0.01  -0.09  -0.08     0.01   0.05   0.02
     7   8     0.01  -0.00   0.01     0.03  -0.00   0.02    -0.02   0.00  -0.01
     8   8    -0.05  -0.01   0.00     0.02  -0.00  -0.01    -0.01   0.01   0.01
     9   8     0.00   0.01  -0.01    -0.01   0.00   0.00     0.01   0.02  -0.01
    10   8    -0.01   0.02   0.00    -0.02   0.07   0.01     0.02  -0.03  -0.00
    11   1     0.52  -0.18  -0.12     0.19   0.00  -0.01     0.52  -0.39  -0.07
    12   1     0.28   0.10  -0.00     0.57   0.56  -0.01     0.02  -0.39  -0.07
    13   1    -0.00   0.08   0.02    -0.00   0.12  -0.00    -0.00  -0.14  -0.03
    14   1    -0.45  -0.03  -0.11     0.34   0.02   0.09     0.43   0.03   0.11
    15   1     0.40   0.42  -0.05    -0.12  -0.14   0.02     0.19   0.18   0.02
    16   1     0.01   0.05  -0.02    -0.04   0.32   0.05     0.04  -0.29  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1296.6459              1339.3920              1371.4172
 Red. masses --      2.5429                 1.1800                 1.1789
 Frc consts  --      2.5190                 1.2473                 1.3064
 IR Inten    --    120.8540               105.1891                72.3703
 RamAct Fr= 1--      4.5214                 2.3761                 4.7252
  Dep-P Fr= 1--      0.4236                 0.4975                 0.7123
  Dep-U Fr= 1--      0.5951                 0.6645                 0.8319
 Alpha2 Fr= 1--      0.0307                 0.0119                 0.0031
 Beta2  Fr= 1--      0.4485                 0.2631                 0.6552
 AlphaG Fr= 1--      0.0068                -0.0050                 0.0058
 Gamma2 Fr= 1--      0.0330                -1.8136                 0.1730
 Delta2 Fr= 1--      0.0417                -0.0037                -0.6335
 Raman1 Fr= 1--      18.085                  9.505                 18.901
 ROA1   Fr= 1--       4.500               -174.222                 -3.668
 CID1   Fr= 1--       0.249                -18.330                 -0.194
 Raman2 Fr= 1--       5.381                  3.158                  7.862
 ROA2   Fr= 1--       0.458                -43.496                  9.219
 CID2   Fr= 1--       0.085                -13.775                  1.173
 Raman3 Fr= 1--      10.763                  6.315                 15.725
 ROA3   Fr= 1--       4.500               -174.222                 -3.668
 CID3   Fr= 1--       0.418                -27.587                 -0.233
 RC180  Fr= 1--       0.190                  0.329                  0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00   0.01
     2   8    -0.01   0.02  -0.00     0.01   0.03  -0.00    -0.01  -0.00  -0.00
     3   8    -0.00  -0.00  -0.00     0.02  -0.01   0.01    -0.02   0.01  -0.01
     4   6     0.01   0.00   0.02    -0.04  -0.03   0.06    -0.00  -0.09   0.00
     5   6     0.03  -0.13   0.00    -0.05   0.03   0.02     0.04  -0.03  -0.01
     6   6     0.07   0.27   0.04     0.01   0.02   0.00     0.00   0.02   0.01
     7   8    -0.08   0.01  -0.02    -0.01   0.00  -0.00    -0.01   0.00  -0.00
     8   8    -0.00   0.00  -0.00     0.02  -0.01  -0.03    -0.04   0.00  -0.01
     9   8    -0.06  -0.02  -0.02     0.01   0.01  -0.01     0.00  -0.00   0.02
    10   8     0.06  -0.13  -0.00     0.01  -0.01  -0.00     0.01  -0.01  -0.00
    11   1    -0.10   0.02   0.06     0.33   0.62  -0.19     0.26   0.54  -0.21
    12   1     0.37   0.08  -0.05     0.33  -0.26  -0.16    -0.40   0.37   0.22
    13   1    -0.03  -0.48  -0.07    -0.01  -0.11   0.00    -0.00  -0.02  -0.00
    14   1    -0.01  -0.00   0.00    -0.19  -0.01  -0.06     0.30   0.01   0.09
    15   1     0.06   0.06  -0.01    -0.26  -0.28  -0.01     0.25   0.26  -0.02
    16   1    -0.10   0.68   0.05     0.02  -0.21  -0.04     0.01  -0.05   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1385.3234              1409.8370              1430.0101
 Red. masses --      1.4176                 1.4493                 2.0953
 Frc consts  --      1.6029                 1.6972                 2.5245
 IR Inten    --    275.0836               122.6179               196.7509
 RamAct Fr= 1--      3.0619                 1.6775                 1.2113
  Dep-P Fr= 1--      0.4047                 0.3539                 0.5279
  Dep-U Fr= 1--      0.5762                 0.5228                 0.6910
 Alpha2 Fr= 1--      0.0223                 0.0145                 0.0052
 Beta2  Fr= 1--      0.2940                 0.1462                 0.1395
 AlphaG Fr= 1--     -0.0127                 0.0297                -0.0144
 Gamma2 Fr= 1--     -1.9364                 0.4628                 0.0552
 Delta2 Fr= 1--     -0.2180                 0.7160                 0.4334
 Raman1 Fr= 1--      12.248                  6.710                  4.845
 ROA1   Fr= 1--    -192.871                 67.344                 19.167
 CID1   Fr= 1--     -15.747                 10.037                  3.956
 Raman2 Fr= 1--       3.528                  1.754                  1.674
 ROA2   Fr= 1--     -44.730                  5.381                 -2.142
 CID2   Fr= 1--     -12.677                  3.068                 -1.280
 Raman3 Fr= 1--       7.057                  3.508                  3.348
 ROA3   Fr= 1--    -192.871                 67.344                 19.167
 CID3   Fr= 1--     -27.332                 19.198                  5.725
 RC180  Fr= 1--       0.152                  0.046                  0.382
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.00   0.04     0.08  -0.01   0.01     0.19  -0.03   0.03
     2   8    -0.02  -0.02  -0.00    -0.01  -0.01  -0.00    -0.03  -0.01  -0.00
     3   8    -0.08   0.02  -0.03    -0.04   0.01  -0.01    -0.10   0.01  -0.02
     4   6     0.07  -0.06   0.00    -0.09   0.03   0.00    -0.10   0.12  -0.01
     5   6    -0.07   0.03   0.01     0.10   0.04   0.03    -0.06  -0.05  -0.03
     6   6     0.00  -0.01  -0.01    -0.03   0.00   0.01     0.04   0.06   0.01
     7   8     0.01  -0.00   0.01     0.03  -0.01   0.00    -0.03   0.00  -0.01
     8   8    -0.03   0.00   0.00     0.02  -0.01  -0.01     0.05  -0.01  -0.00
     9   8     0.00   0.01  -0.01    -0.04  -0.03  -0.02     0.04   0.02   0.02
    10   8    -0.01  -0.00  -0.00    -0.02  -0.02  -0.01     0.01  -0.02  -0.00
    11   1    -0.38   0.19   0.08     0.30   0.01  -0.12     0.11  -0.23   0.00
    12   1     0.47  -0.29  -0.23    -0.17  -0.36   0.02    -0.05   0.39   0.08
    13   1     0.01   0.16   0.04     0.05   0.46   0.08    -0.01  -0.17  -0.00
    14   1     0.50   0.01   0.15     0.25  -0.00   0.06     0.40  -0.01   0.10
    15   1     0.25   0.26  -0.00    -0.16  -0.18   0.01    -0.31  -0.35   0.05
    16   1     0.01  -0.03  -0.04    -0.08   0.59   0.04     0.07  -0.50  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1472.0672              1785.3903              1820.1838
 Red. masses --      1.5115                 9.0202                 8.2062
 Frc consts  --      1.9298                16.9408                16.0186
 IR Inten    --    155.5918               320.8943               292.6858
 RamAct Fr= 1--      1.0628                23.3713                11.3796
  Dep-P Fr= 1--      0.3783                 0.0911                 0.4369
  Dep-U Fr= 1--      0.5490                 0.1670                 0.6082
 Alpha2 Fr= 1--      0.0085                 0.4182                 0.0735
 Beta2  Fr= 1--      0.0972                 0.6505                 1.1534
 AlphaG Fr= 1--      0.0080                -0.0592                 0.0626
 Gamma2 Fr= 1--     -0.3814                -0.6173                -0.0004
 Delta2 Fr= 1--      0.1102                 0.2362                -0.2318
 Raman1 Fr= 1--       4.251                 93.485                 45.518
 ROA1   Fr= 1--     -33.085                -51.706                 -7.454
 CID1   Fr= 1--      -7.783                 -0.553                 -0.164
 Raman2 Fr= 1--       1.167                  7.806                 13.841
 ROA2   Fr= 1--     -10.034                -16.706                  1.845
 CID2   Fr= 1--      -8.599                 -2.140                  0.133
 Raman3 Fr= 1--       2.334                 15.613                 27.682
 ROA3   Fr= 1--     -33.085                -51.706                 -7.454
 CID3   Fr= 1--     -14.177                 -3.312                 -0.269
 RC180  Fr= 1--       0.098                 -0.666                  0.216
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.01     0.16   0.59  -0.08    -0.10  -0.30   0.03
     2   8     0.01  -0.01   0.00    -0.08  -0.35   0.05     0.05   0.17  -0.02
     3   8     0.03  -0.00   0.01     0.00  -0.06   0.01     0.01   0.03  -0.00
     4   6     0.02  -0.00   0.01    -0.00  -0.05   0.01    -0.01   0.01  -0.00
     5   6    -0.05  -0.05  -0.02     0.00   0.00  -0.01    -0.02  -0.00  -0.00
     6   6     0.02   0.13   0.02     0.30  -0.09   0.07     0.52  -0.24   0.10
     7   8     0.03  -0.03   0.00    -0.18   0.06  -0.04    -0.32   0.11  -0.07
     8   8     0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.01  -0.00
     9   8     0.01   0.02   0.01    -0.01   0.00   0.00     0.00   0.01  -0.00
    10   8    -0.03  -0.10  -0.02    -0.04  -0.00  -0.01    -0.06   0.03  -0.01
    11   1    -0.04  -0.01   0.03    -0.01   0.10  -0.01     0.03  -0.05  -0.01
    12   1     0.05   0.18   0.00    -0.06  -0.02  -0.01    -0.03  -0.10   0.00
    13   1     0.12   0.89   0.12     0.14   0.19   0.09     0.04   0.54   0.07
    14   1    -0.13   0.00  -0.03    -0.47   0.02  -0.12     0.22  -0.00   0.06
    15   1    -0.00  -0.00   0.00    -0.02  -0.02  -0.01     0.02   0.03   0.00
    16   1     0.04  -0.29  -0.02    -0.04   0.15   0.01    -0.04   0.19  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3001.1265              3021.8027              3219.4006
 Red. masses --      1.0820                 1.0840                 1.0738
 Frc consts  --      5.7417                 5.8321                 6.5572
 IR Inten    --     13.2219                14.2386               844.9797
 RamAct Fr= 1--    121.3234                25.1582                82.9486
  Dep-P Fr= 1--      0.1625                 0.2181                 0.2240
  Dep-U Fr= 1--      0.2796                 0.3581                 0.3660
 Alpha2 Fr= 1--      1.8167                 0.3255                 1.0563
 Beta2  Fr= 1--      5.6530                 1.5016                 5.0593
 AlphaG Fr= 1--     -0.2610                -0.1471                 0.0199
 Gamma2 Fr= 1--     -4.0016                 2.8549                 0.3264
 Delta2 Fr= 1--     -4.9793                 6.2524                 1.3328
 Raman1 Fr= 1--     485.294                100.633                331.794
 ROA1   Fr= 1--    -543.495                474.146                 73.982
 CID1   Fr= 1--      -1.120                  4.712                  0.223
 Raman2 Fr= 1--      67.837                 18.019                 60.712
 ROA2   Fr= 1--     -56.204                 18.498                 -2.829
 CID2   Fr= 1--      -0.829                  1.027                 -0.047
 Raman3 Fr= 1--     135.673                 36.037                121.424
 ROA3   Fr= 1--    -543.495                474.146                 73.982
 CID3   Fr= 1--      -4.006                 13.157                  0.609
 RC180  Fr= 1--      -0.441                 -0.284                 -0.268
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     2   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     3   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.02  -0.01  -0.07    -0.01  -0.01  -0.03     0.00   0.00  -0.00
     5   6     0.01  -0.01   0.03    -0.02   0.02  -0.07     0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     7   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    10   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.06   0.01  -0.01
    11   1     0.26   0.19   0.87     0.10   0.07   0.35    -0.00   0.00  -0.00
    12   1    -0.11   0.09  -0.35     0.26  -0.21   0.86    -0.00  -0.00  -0.00
    13   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.97  -0.19   0.16
    14   1     0.00   0.01  -0.00     0.00   0.00  -0.00     0.01   0.03  -0.00
    15   1     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.01  -0.00
    16   1     0.01   0.00   0.00    -0.01  -0.00  -0.01    -0.02   0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3584.5675              3589.3900              3677.8414
 Red. masses --      1.0645                 1.0643                 1.0651
 Frc consts  --      8.0585                 8.0792                 8.4883
 IR Inten    --    178.1773               198.4792               109.3392
 RamAct Fr= 1--     64.5553                18.9794                27.6227
  Dep-P Fr= 1--      0.0623                 0.1391                 0.1162
  Dep-U Fr= 1--      0.1172                 0.2443                 0.2082
 Alpha2 Fr= 1--      1.2383                 0.3016                 0.4648
 Beta2  Fr= 1--      1.2615                 0.7727                 0.9583
 AlphaG Fr= 1--      0.0337                 0.0576                -0.0664
 Gamma2 Fr= 1--     -3.9635                 5.0795                -0.7942
 Delta2 Fr= 1--     -2.3454                 2.1323                -0.4128
 Raman1 Fr= 1--     258.221                 75.917                110.491
 ROA1   Fr= 1--    -455.553                555.866                -89.450
 CID1   Fr= 1--      -1.764                  7.322                 -0.810
 Raman2 Fr= 1--      15.138                  9.273                 11.500
 ROA2   Fr= 1--     -76.362                104.850                -15.757
 CID2   Fr= 1--      -5.044                 11.307                 -1.370
 Raman3 Fr= 1--      30.276                 18.546                 22.999
 ROA3   Fr= 1--    -455.553                555.866                -89.450
 CID3   Fr= 1--     -15.047                 29.973                 -3.889
 RC180  Fr= 1--      -0.766                 -0.511                 -0.584
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   8     0.00   0.02  -0.00    -0.00  -0.06   0.01     0.00   0.01  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.04  -0.04  -0.01
     9   8    -0.05  -0.00  -0.02    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00
    10   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.01
    12   1     0.00  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   1     0.03  -0.00   0.00    -0.02   0.00  -0.00    -0.01   0.00  -0.00
    14   1    -0.02  -0.30   0.04     0.07   0.94  -0.12    -0.00  -0.10   0.01
    15   1     0.07  -0.08  -0.02    -0.05   0.05   0.01    -0.66   0.71   0.20
    16   1     0.89   0.04   0.30     0.29   0.01   0.10     0.08   0.00   0.03

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  8 and mass  15.99491
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Molecular mass:   150.01644 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   865.735951667.363582402.00096
           X            0.99999   0.00406  -0.00272
           Y           -0.00407   0.99999  -0.00149
           Z            0.00271   0.00150   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10005     0.05195     0.03606
 Rotational constants (GHZ):           2.08463     1.08239     0.75135
 Zero-point vibrational energy     304952.0 (Joules/Mol)
                                   72.88527 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    103.77   126.21   164.83   328.20   343.68
          (Kelvin)            465.74   480.12   523.28   600.59   681.68
                              744.91   773.52   848.60   878.68   966.61
                             1060.14  1084.61  1090.44  1286.90  1302.33
                             1347.32  1467.95  1621.75  1636.58  1758.47
                             1786.19  1820.01  1865.58  1927.09  1973.16
                             1993.17  2028.44  2057.47  2117.98  2568.78
                             2618.84  4317.95  4347.70  4632.00  5157.39
                             5164.33  5291.59
 
 Zero-point correction=                           0.116150 (Hartree/Particle)
 Thermal correction to Energy=                    0.125383
 Thermal correction to Enthalpy=                  0.126327
 Thermal correction to Gibbs Free Energy=         0.081403
 Sum of electronic and zero-point Energies=           -607.579004
 Sum of electronic and thermal Energies=              -607.569771
 Sum of electronic and thermal Enthalpies=            -607.568827
 Sum of electronic and thermal Free Energies=         -607.613750
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   78.679             34.154             94.550
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.927
 Rotational               0.889              2.981             29.629
 Vibrational             76.902             28.193             23.994
 Vibration     1          0.598              1.967              4.094
 Vibration     2          0.601              1.958              3.710
 Vibration     3          0.607              1.937              3.190
 Vibration     4          0.651              1.798              1.894
 Vibration     5          0.657              1.781              1.811
 Vibration     6          0.708              1.628              1.291
 Vibration     7          0.715              1.608              1.242
 Vibration     8          0.737              1.547              1.106
 Vibration     9          0.780              1.432              0.901
 Vibration    10          0.831              1.308              0.727
 Vibration    11          0.873              1.211              0.615
 Vibration    12          0.893              1.167              0.570
 Vibration    13          0.947              1.054              0.468
 Vibration    14          0.970              1.009              0.432
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.360606D-37        -37.442967        -86.215617
 Total V=0       0.960087D+16         15.982311         36.800630
 Vib (Bot)       0.749085D-51        -51.125469       -117.720743
 Vib (Bot)    1  0.285867D+01          0.456164          1.050356
 Vib (Bot)    2  0.234481D+01          0.370108          0.852206
 Vib (Bot)    3  0.178599D+01          0.251879          0.579972
 Vib (Bot)    4  0.864137D+00         -0.063418         -0.146025
 Vib (Bot)    5  0.821299D+00         -0.085499         -0.196868
 Vib (Bot)    6  0.579430D+00         -0.236999         -0.545711
 Vib (Bot)    7  0.558637D+00         -0.252870         -0.582255
 Vib (Bot)    8  0.502713D+00         -0.298680         -0.687735
 Vib (Bot)    9  0.421464D+00         -0.375239         -0.864020
 Vib (Bot)   10  0.354871D+00         -0.449929         -1.036000
 Vib (Bot)   11  0.312413D+00         -0.505271         -1.163430
 Vib (Bot)   12  0.295358D+00         -0.529651         -1.219567
 Vib (Bot)   13  0.255819D+00         -0.592067         -1.363284
 Vib (Bot)   14  0.241804D+00         -0.616536         -1.419627
 Vib (V=0)       0.199438D+03          2.299808          5.295505
 Vib (V=0)    1  0.340207D+01          0.531743          1.224383
 Vib (V=0)    2  0.289753D+01          0.462028          1.063859
 Vib (V=0)    3  0.235466D+01          0.371928          0.856395
 Vib (V=0)    4  0.149836D+01          0.175618          0.404374
 Vib (V=0)    5  0.146153D+01          0.164807          0.379481
 Vib (V=0)    6  0.126534D+01          0.102206          0.235337
 Vib (V=0)    7  0.124972D+01          0.096812          0.222917
 Vib (V=0)    8  0.120903D+01          0.082436          0.189817
 Vib (V=0)    9  0.115394D+01          0.062182          0.143179
 Vib (V=0)   10  0.111313D+01          0.046548          0.107180
 Vib (V=0)   11  0.108958D+01          0.037258          0.085790
 Vib (V=0)   12  0.108072D+01          0.033713          0.077628
 Vib (V=0)   13  0.106164D+01          0.025979          0.059818
 Vib (V=0)   14  0.105540D+01          0.023417          0.053920
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.722208D+08          7.858662         18.095238
 Rotational      0.666561D+06          5.823840         13.409887
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  33           3      33                                        11         1111111111  11  1                                   
     6  55           2      00                                        87         4443332222  11  0  998  777 6 65 554 4333  22  1    
     7  88           1      20                                        28         7318739642  32  2  309  553 7 19 317 1632  32  187  
     8  95           9      21                                        05         2005197512  77  0  654  847 2 10 884 7444  98  582  
 
     X  XX           X      XX                                        XX         XXXXXXXXXX  XX  X  XXX  XXX X XX XXX XXXX  XX  XXX  
     X  XX           X                                                XX         XXXXXXX  X   X       X    X      X                  
     X  XX           X                                                XX         XXXX  X      X                                      
        XX           X                                                XX         XX X         X                                      
        X            X                                                XX          X X                                                
                     X                                                XX            X                                                
                     X                                                XX            X                                                
                     X                                                 X                                                             
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000004074   -0.000001755   -0.000003318
      2        8          -0.000003485   -0.000005707    0.000001032
      3        8           0.000005201    0.000002927   -0.000001410
      4        6           0.000003186    0.000004652    0.000001129
      5        6          -0.000004948    0.000003142   -0.000002528
      6        6          -0.000001929   -0.000008542    0.000005804
      7        8          -0.000004577    0.000006772    0.000000029
      8        8          -0.000000959   -0.000001581    0.000000714
      9        8           0.000003830   -0.000000467   -0.000005605
     10        8           0.000003193   -0.000001110    0.000000388
     11        1          -0.000001423   -0.000001061    0.000001238
     12        1          -0.000003339   -0.000007236   -0.000001271
     13        1           0.000002685    0.000012055    0.000001878
     14        1          -0.000000484   -0.000000824   -0.000000694
     15        1          -0.000002318    0.000000668    0.000001878
     16        1           0.000001293   -0.000001932    0.000000737
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012055 RMS     0.000003735
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.849494D+02 -0.340041D-01  0.227692D+01
      2  -0.340041D-01  0.764442D+02 -0.500416D+00
      3   0.227692D+01 -0.500416D+00  0.531759D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.382871D+01 -0.844638D+00 -0.490296D+01
      2  -0.157400D+01 -0.435955D+01 -0.316966D+01
      3  -0.144557D+02 -0.150319D+01  0.100538D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.116440D+02  0.235325D+02 -0.450058D+01
      2   0.541936D+01 -0.145113D+02  0.380080D+01
      3   0.622468D+01 -0.902123D+01  0.699780D+00
      4   0.180926D+02 -0.231191D+01 -0.102258D+02
      5  -0.417064D+01 -0.802962D+01 -0.327487D+01
      6  -0.713227D+01  0.823278D+00  0.756131D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.154400D+01 -0.687553D+00  0.305593D-01  0.277435D+01  0.144339D+01
      2  -0.687553D+00  0.186947D+01 -0.250097D+00  0.144339D+01  0.489889D+01
      3   0.305593D-01 -0.250097D+00  0.320628D+00 -0.308176D+00 -0.186185D+00
                 6             7             8             9            10 
      1  -0.308176D+00 -0.164729D+01  0.181245D+00  0.327103D+00 -0.230196D+01
      2  -0.186185D+00  0.181245D+00 -0.715101D+00 -0.106132D+00 -0.220346D+01
      3  -0.282559D-01  0.327103D+00 -0.106132D+00 -0.799079D+00  0.246175D+00
                11            12            13            14            15 
      1  -0.220346D+01  0.246175D+00 -0.569444D+01 -0.427546D+00  0.208210D-01
      2  -0.703423D+00  0.435535D-01 -0.427546D+00 -0.115685D+02  0.579073D+00
      3   0.435535D-01 -0.395971D+00  0.208210D-01  0.579073D+00 -0.196922D+01
                16            17            18            19            20 
      1   0.921727D+00  0.833528D-01 -0.288827D+00  0.858759D+01  0.273603D+00
      2   0.833528D-01  0.879875D+00 -0.260959D+01  0.273603D+00  0.879434D+00
      3  -0.288827D+00 -0.260959D+01  0.885523D+00  0.522063D+00  0.588988D-01
                21            22            23            24            25 
      1   0.522063D+00 -0.195999D+01  0.123391D+01 -0.182855D+00  0.174614D+01
      2   0.588988D-01  0.123391D+01 -0.294414D+01  0.642450D+00 -0.134082D+00
      3   0.119424D+01 -0.182855D+00  0.642450D+00 -0.103420D+00  0.229182D+01
                26            27            28            29            30 
      1  -0.134082D+00  0.229182D+01  0.554335D+01 -0.874527D+00 -0.116144D+01
      2   0.830888D+00  0.485557D+00 -0.874527D+00 -0.916732D+00  0.547458D+00
      3   0.485557D+00  0.926615D+00 -0.116144D+01  0.547458D+00  0.241013D+01
                31            32            33            34            35 
      1  -0.405534D+00 -0.203597D+01  0.101906D+01 -0.305423D+01  0.610616D+00
      2  -0.203597D+01 -0.971656D+00  0.139557D+00  0.610616D+00  0.534973D-01
      3   0.101906D+01  0.139557D+00  0.172433D+01  0.300887D+01  0.417678D+00
                36            37            38            39            40 
      1   0.300887D+01 -0.563613D+01  0.169047D+01  0.110936D+01  0.166319D+00
      2   0.417678D+00  0.169047D+01  0.121872D+01  0.657706D+00  0.214662D+01
      3   0.449620D+01  0.110936D+01  0.657706D+00 -0.218252D+01  0.117115D+01
                41            42            43            44            45 
      1   0.214662D+01  0.117115D+01  0.311470D+01  0.145527D+00 -0.297402D+01
      2  -0.333459D-01  0.432834D-01  0.145527D+00  0.377702D+00  0.116691D+01
      3   0.432834D-01  0.186592D+01 -0.297402D+01  0.116691D+01 -0.430933D+01
                46            47            48            49            50 
      1   0.662444D+01 -0.281148D+01  0.625522D+00 -0.397137D+01 -0.104903D+01
      2  -0.281148D+01  0.106755D+01 -0.230977D+00 -0.104903D+01 -0.281494D+00
      3   0.625522D+00 -0.230977D+00  0.700207D+00 -0.785351D+00 -0.232963D+00
                51            52            53            54            55 
      1  -0.785351D+00  0.148927D+01 -0.383440D+00  0.305554D+00 -0.145063D+02
      2  -0.232963D+00 -0.383440D+00  0.501571D+00 -0.796080D+00  0.219307D+01
      3  -0.114836D+01  0.305554D+00 -0.796080D+00  0.826098D+00 -0.115017D+01
                56            57            58            59            60 
      1   0.219307D+01 -0.115017D+01  0.227657D+01 -0.254792D+01  0.257222D+00
      2  -0.368877D+01  0.131784D+00 -0.254792D+01  0.247216D+01 -0.363736D+00
      3   0.131784D+00 -0.229894D+01  0.257222D+00 -0.363736D+00  0.968044D+00
                61            62            63            64            65 
      1  -0.208908D+01  0.292814D+00 -0.332854D+01  0.500425D+01  0.127123D+01
      2   0.292814D+00 -0.912103D+00  0.831826D+00  0.127123D+01  0.400023D+01
      3  -0.332854D+01  0.831826D+00 -0.166081D+01 -0.621706D+00 -0.464267D+00
                66            67            68            69            70 
      1  -0.621706D+00  0.610873D-01  0.291565D+01 -0.317160D+00 -0.563037D+00
      2  -0.464267D+00  0.291565D+01  0.288233D+01 -0.988876D+00 -0.177150D-01
      3   0.356657D+00 -0.317160D+00 -0.988876D+00 -0.226782D+00  0.736828D+00
                71            72            73            74            75 
      1  -0.177150D-01  0.736828D+00  0.238283D+01  0.132838D+01  0.654436D+00
      2  -0.107646D+01  0.127884D+01  0.132838D+01  0.165493D+01 -0.167150D+00
      3   0.127884D+01 -0.723110D+00  0.654436D+00 -0.167150D+00  0.874617D+00
                76            77            78            79            80 
      1   0.154210D+01 -0.103454D+01 -0.668209D+00  0.116882D+01 -0.389230D+00
      2  -0.103454D+01  0.627307D+01  0.116135D+01 -0.389230D+00  0.169290D+01
      3  -0.668209D+00  0.116135D+01  0.475396D+00 -0.343428D+00  0.158195D+01
                81            82            83            84            85 
      1  -0.343428D+00 -0.770845D+01 -0.143516D+01 -0.676668D+00  0.566784D+00
      2   0.158195D+01 -0.143516D+01 -0.157651D+01 -0.775717D-01 -0.466677D+00
      3   0.110812D+01 -0.676668D+00 -0.775717D-01 -0.220941D+00  0.327309D+00
                86            87            88            89            90 
      1  -0.466677D+00  0.327309D+00 -0.131763D+01  0.347625D-01  0.989395D-01
      2  -0.691124D+01 -0.263414D+00  0.347625D-01 -0.692568D+00 -0.191886D+01
      3  -0.263414D+00 -0.100690D+01  0.989395D-01 -0.191886D+01 -0.433155D+00
                91            92            93            94            95 
      1  -0.188294D+01 -0.255759D+00 -0.117836D+01 -0.446385D+00  0.191790D+00
      2  -0.255759D+00 -0.247864D+00 -0.157000D+00  0.191790D+00 -0.498280D+00
      3  -0.117836D+01 -0.157000D+00 -0.160502D+01 -0.374002D+00 -0.127582D+01
                96            97            98            99           100 
      1  -0.374002D+00 -0.140776D+01 -0.289294D+00 -0.106448D+01  0.204821D+01
      2  -0.127582D+01 -0.289294D+00 -0.172339D+01 -0.513706D+00 -0.570361D+00
      3  -0.102246D+01 -0.106448D+01 -0.513706D+00 -0.733565D+01  0.118185D+01
               101           102           103           104           105 
      1  -0.570361D+00  0.118185D+01 -0.671403D+00 -0.872438D-01 -0.367364D+00
      2   0.162069D+00 -0.202680D+00 -0.872438D-01 -0.608577D+00  0.126175D+01
      3  -0.202680D+00  0.158838D+01 -0.367364D+00  0.126175D+01 -0.111287D+01
               106           107           108           109           110 
      1   0.146519D+01 -0.209765D+00  0.133317D+01  0.869847D+01 -0.444075D+00
      2  -0.209765D+00  0.154346D+01 -0.741810D+00 -0.444075D+00  0.127358D+01
      3   0.133317D+01 -0.741810D+00  0.721914D+01  0.456371D+00  0.167513D+00
               111           112           113           114           115 
      1   0.456371D+00 -0.499781D+00  0.285854D+00 -0.890295D-02  0.126810D+01
      2   0.167513D+00  0.285854D+00 -0.164564D+01  0.632746D-01 -0.504061D-01
      3   0.335534D+00 -0.890295D-02  0.632746D-01 -0.523724D+00 -0.284788D-01
               116           117           118           119           120 
      1  -0.504061D-01 -0.284788D-01  0.130287D+01  0.120753D+01 -0.133401D+00
      2   0.289025D+00 -0.504451D+00  0.120753D+01  0.537566D+00  0.138399D+00
      3  -0.504451D+00  0.733173D-01 -0.133401D+00  0.138399D+00  0.586918D+00
               121           122           123           124           125 
      1   0.355445D+01  0.104563D+01  0.408780D+00 -0.414393D+00  0.109305D+00
      2   0.104563D+01  0.421956D+01 -0.316077D+00  0.109305D+00 -0.413512D+00
      3   0.408780D+00 -0.316077D+00  0.768564D+00  0.539296D+00  0.392804D+00
               126           127           128           129           130 
      1   0.539296D+00 -0.224112D+01  0.547718D+00  0.548612D+00  0.193399D+01
      2   0.392804D+00  0.547718D+00 -0.227314D+01  0.477285D-01 -0.699796D+00
      3   0.112214D+00  0.548612D+00  0.477285D-01 -0.467476D+00 -0.223652D+00
               131           132           133           134           135 
      1  -0.699796D+00 -0.223652D+00  0.704691D+00 -0.913241D-01 -0.660648D-01
      2   0.473702D+01  0.439444D-01 -0.913241D-01  0.571810D+00  0.702726D+00
      3   0.439444D-01  0.106530D+01 -0.660648D-01  0.702726D+00 -0.220979D-01
               136           137           138           139           140 
      1  -0.437107D+01  0.770387D+00 -0.453195D+00  0.773258D+00 -0.914119D+00
      2   0.770387D+00 -0.325712D+01 -0.243300D+00 -0.914119D+00 -0.201722D-01
      3  -0.453195D+00 -0.243300D+00 -0.119644D+01  0.313279D-01 -0.307605D+00
               141           142           143           144 
      1   0.313279D-01 -0.138524D+01  0.107634D+00 -0.547740D+00
      2  -0.307605D+00  0.107634D+00 -0.120759D+01  0.332327D+00
      3   0.274428D+00 -0.547740D+00  0.332327D+00 -0.364009D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.444916D+00 -0.186327D+01  0.127037D+01 -0.375046D+01  0.279796D+01
      2   0.355862D+01 -0.308533D+01 -0.430886D+01 -0.441525D+01  0.736902D+00
      3  -0.480375D+00 -0.384668D+01  0.209528D+01 -0.728208D+01 -0.581266D+01
                 6             7             8             9            10 
      1   0.777786D+01 -0.693928D+00  0.946062D+01 -0.286268D+01  0.133901D+00
      2   0.232809D+00 -0.131481D+02  0.255462D+01 -0.466978D+01 -0.243161D+00
      3   0.172091D+01  0.440047D+01  0.250148D+01 -0.136754D+01  0.697129D+01
                11            12            13            14            15 
      1   0.170392D+00 -0.386451D+00  0.215462D+00  0.119018D-01 -0.104390D+02
      2   0.651285D+00  0.318607D+01  0.941995D+00  0.820768D+00 -0.193594D+01
      3  -0.876343D+00 -0.913363D+00  0.181754D+02  0.178154D+02 -0.110346D+01
                16            17            18            19            20 
      1   0.145031D+01 -0.405390D+00  0.222175D+01  0.581873D+00  0.703391D+00
      2  -0.262135D+01 -0.534563D+01  0.217113D+01  0.828287D+00  0.467134D+00
      3  -0.274248D+01 -0.122113D+01  0.508893D+01 -0.235298D+01 -0.970042D+01
                21            22            23            24            25 
      1  -0.599270D+00  0.813294D+00 -0.151619D+01 -0.231248D+01  0.175235D+01
      2   0.859474D+01  0.800069D+00  0.175983D+01 -0.138592D+01  0.490704D+01
      3  -0.358096D+00 -0.458923D+00  0.123049D+02 -0.253509D+01 -0.897077D+00
                26            27            28            29            30 
      1   0.162364D+01  0.460551D+00  0.350085D+00  0.129912D+01  0.131439D+01
      2  -0.149476D+01  0.346902D+01 -0.295477D+01  0.105752D+01  0.378219D+01
      3  -0.396122D+01 -0.183280D+01  0.669561D+00 -0.322894D+01 -0.430355D+00
                31            32            33            34            35 
      1   0.325976D+01  0.427081D-01 -0.261880D+01 -0.187524D+01  0.268050D+01
      2   0.276636D+01 -0.581442D+00 -0.134982D+01 -0.285984D+01  0.899089D+00
      3   0.523100D+01  0.148801D+01 -0.881957D+00 -0.186718D+01 -0.263235D+00
                36            37            38            39            40 
      1  -0.157266D+01 -0.493704D+00  0.192805D+01 -0.108081D+01  0.126291D+01
      2   0.377295D+01 -0.146385D+01 -0.101464D+01  0.300024D+01 -0.260690D+01
      3   0.740767D-01  0.784523D+00 -0.161347D+01  0.341545D+00  0.677120D+01
                41            42            43            44            45 
      1  -0.380626D-01 -0.238105D+01  0.134487D+01  0.193013D+01  0.209297D+01
      2  -0.944780D+00  0.674740D+00 -0.365854D+01 -0.179371D+01  0.355676D+01
      3   0.105274D+01  0.522591D+00  0.260202D+01 -0.591691D+00  0.478771D+00
                46            47            48            49            50 
      1  -0.266777D+00 -0.474981D+01 -0.151611D+01 -0.386833D+01 -0.280170D+01
      2   0.410926D+01  0.314717D+01 -0.820099D+01  0.376273D+01  0.187889D+01
      3  -0.631450D+01  0.669352D+01 -0.151464D+01  0.379215D+01 -0.520806D+01
                51            52            53            54            55 
      1   0.517013D+01  0.229290D+01  0.122744D+02  0.249981D+01 -0.864642D+00
      2   0.238268D+01 -0.127497D+02 -0.220258D+01 -0.553504D+01  0.263056D+00
      3   0.172051D+01 -0.224944D+01  0.491180D+01 -0.878506D+00  0.101108D+02
                56            57            58            59            60 
      1   0.222285D+01  0.602131D+00  0.109538D+01 -0.497233D+00 -0.344690D+01
      2  -0.844970D+00  0.135954D+02 -0.990816D+00  0.463502D-01 -0.208811D+01
      3  -0.192485D+02  0.775364D+00 -0.346192D+01  0.103760D+02 -0.931836D+00
                61            62            63            64            65 
      1  -0.277332D+01  0.159020D+01 -0.100833D+01  0.163497D+01 -0.222040D+01
      2   0.454384D+01  0.577604D+00  0.517572D+01  0.158681D+01  0.854845D-01
      3   0.965356D+00 -0.419698D+01  0.353424D+01  0.120073D+02 -0.927293D+01
                66            67            68            69            70 
      1  -0.270693D+01 -0.257663D+01 -0.739910D+00 -0.337037D+01 -0.138816D+01
      2   0.364246D+01 -0.203665D+00 -0.349170D-01  0.183861D+01 -0.204807D+01
      3  -0.175776D+01 -0.278033D+01  0.160631D+01  0.180885D+01 -0.303779D+01
                71            72            73            74            75 
      1   0.296217D+01  0.737999D+00 -0.134691D+01 -0.737975D+00 -0.561502D+00
      2   0.123588D+01 -0.886104D+00 -0.190036D+01 -0.159067D+01  0.141619D+01
      3   0.157315D+01  0.895123D-01  0.115180D+02  0.607507D+01  0.269834D+01
                76            77            78            79            80 
      1  -0.212744D+00  0.292027D+01 -0.553199D+01 -0.233694D-01  0.138433D+01
      2  -0.377042D+00 -0.526519D+00 -0.193104D+01 -0.330468D+01 -0.384726D+00
      3   0.762057D+01  0.688862D+01  0.188216D+00  0.423793D+01  0.320211D+01
                81            82            83            84            85 
      1  -0.136548D+01 -0.129926D+01  0.109893D+01 -0.857673D+00  0.360428D-01
      2  -0.150977D+01 -0.395640D-01 -0.183386D+00  0.372357D+01 -0.913869D+00
      3   0.170551D+01  0.222210D+02 -0.539195D+01  0.159425D+01  0.479047D+01
                86            87            88            89            90 
      1   0.332735D-02 -0.717551D+01 -0.203924D+01 -0.235213D+01 -0.171751D+01
      2   0.154151D+00  0.163387D+00 -0.110900D+01  0.407080D+01  0.136444D+01
      3  -0.807742D+01 -0.714023D+00  0.446505D+01 -0.185406D+01 -0.331956D+01
                91            92            93            94            95 
      1   0.947772D+00  0.922098D+00  0.818281D+00  0.753026D+00  0.816058D+00
      2  -0.225414D+01 -0.463874D+00 -0.793519D+00 -0.116893D+01 -0.130625D+01
      3  -0.614133D+00 -0.344894D+00 -0.295649D+00  0.865372D+00  0.251299D+00
                96            97            98            99           100 
      1   0.858979D+00  0.669552D+00  0.331224D+01  0.237404D+01 -0.106526D+01
      2  -0.766359D+00 -0.343296D+01 -0.306205D+00 -0.437157D+01 -0.224114D+01
      3   0.792035D+00 -0.263376D+00  0.526726D+00 -0.347124D+00  0.169944D+00
               101           102           103           104           105 
      1   0.894186D+00 -0.900685D+00  0.803605D+00 -0.143760D+01  0.777083D+00
      2   0.586380D+00 -0.687609D+00  0.124368D+01 -0.102196D+01  0.780718D+00
      3  -0.745933D+00  0.266326D+00  0.804357D+00 -0.694101D+00  0.817198D+00
               106           107           108           109           110 
      1  -0.873882D+00  0.298323D+01 -0.279486D+01  0.139142D+01 -0.390467D+00
      2  -0.370853D+01  0.693777D+00 -0.427412D+01  0.298664D+00 -0.193137D+00
      3  -0.153679D+00  0.381850D+00 -0.229051D+00 -0.277832D+02  0.658916D+01
               111           112           113           114           115 
      1   0.106756D+01 -0.401366D+00  0.155282D+00 -0.577684D+00  0.371736D+00
      2  -0.277425D+01 -0.462584D-01 -0.170560D+00  0.349147D+00 -0.278008D+01
      3  -0.134911D+01  0.404888D+01 -0.184744D+01  0.143717D+00 -0.390433D+01
               116           117           118           119           120 
      1   0.535817D+00  0.290764D+00  0.356792D+00 -0.509848D+00 -0.836009D+00
      2   0.318825D+00 -0.260982D+00 -0.211388D+00  0.706781D-01  0.675645D+00
      3   0.109410D+01 -0.148562D+00 -0.407255D+01 -0.201168D+00 -0.592139D+00
               121           122           123           124           125 
      1  -0.698129D-01  0.200933D+01 -0.309351D+00  0.115554D+00  0.996702D+00
      2   0.564339D+00 -0.152365D+01  0.313993D+01 -0.404061D-01  0.178084D+01
      3  -0.107449D+01 -0.184890D+02  0.194050D+01 -0.119049D-02  0.250401D+01
               126           127           128           129           130 
      1  -0.301657D+00 -0.279218D+01  0.155891D+01  0.167464D+01  0.120972D+01
      2  -0.381258D+00 -0.101251D+01  0.264499D+00 -0.691248D+00  0.509310D+00
      3  -0.972142D+00 -0.106625D+02  0.511145D+01  0.256198D+01  0.781244D+01
               131           132           133           134           135 
      1  -0.222349D+01 -0.264830D+01  0.394128D+00 -0.114869D+01 -0.533247D+00
      2  -0.320429D+00  0.686664D+00 -0.104998D+01  0.454288D+00  0.656861D+00
      3  -0.813190D+01 -0.104801D+01  0.327553D+01 -0.153929D+01 -0.104506D+01
               136           137           138           139           140 
      1   0.228699D+01 -0.326157D+00  0.269808D+01  0.295591D+00  0.747463D+00
      2   0.281075D+01  0.795748D+00  0.243327D+01  0.134235D+00  0.103362D+01
      3  -0.121546D+02 -0.822583D+01 -0.287199D+01 -0.236617D+01 -0.354000D+01
               141           142           143           144 
      1  -0.365896D+00  0.125810D+01  0.400138D+00  0.122856D+01
      2  -0.791501D+00  0.572458D+00 -0.104083D+01  0.583660D+00
      3  -0.130206D+01 -0.482981D+01 -0.306763D+01 -0.830695D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.163186D+02  0.190635D+01 -0.183028D+00  0.104221D+01  0.240722D+02
      2   0.897260D+01 -0.475850D+01  0.177311D+01 -0.102250D+01 -0.302338D+02
      3   0.734600D+01  0.285215D+01 -0.159008D+01 -0.197056D-01  0.616157D+01
      4  -0.542551D+01 -0.407067D-02 -0.814474D+00 -0.399312D+01  0.792713D+01
      5  -0.188764D+01 -0.187590D+01 -0.730718D+01  0.428601D+00  0.897769D+00
      6   0.703847D+00 -0.295048D+00 -0.445700D+01  0.229440D+00  0.156978D+01
                 6             7             8             9            10 
      1  -0.263152D+01 -0.733841D+01 -0.559044D+01 -0.254260D+01 -0.278101D+01
      2  -0.167982D+00  0.557226D+01  0.421063D+01 -0.623914D+01  0.657220D+01
      3   0.279950D+01  0.176615D+01  0.137981D+01  0.878174D+01 -0.379119D+01
      4  -0.672226D+00  0.510697D+00 -0.160032D+01 -0.104246D+01 -0.469644D+01
      5  -0.214731D+01  0.289052D+01  0.979084D+00 -0.472426D+01 -0.167025D-01
      6  -0.869460D+01 -0.674508D+00  0.177124D+01  0.343209D+01 -0.106719D+01
                11            12            13            14            15 
      1  -0.909987D+01  0.603910D+00 -0.149651D+02 -0.360385D+02  0.118131D+01
      2   0.721250D+01 -0.664537D+00  0.916990D+01  0.530577D+02 -0.645887D+00
      3   0.188737D+01  0.606267D-01  0.579518D+01 -0.170192D+02 -0.535422D+00
      4   0.158997D+02 -0.935064D+00  0.141108D+02 -0.274254D+02  0.109872D+01
      5  -0.384073D+00  0.528445D+01 -0.155095D+01 -0.334334D+00 -0.421236D+01
      6  -0.276662D+00  0.113877D+01 -0.107428D+01 -0.246791D+01  0.154267D+02
                16            17            18            19            20 
      1   0.280755D+01  0.390392D+01 -0.987587D+01  0.628468D+02  0.144879D+01
      2  -0.234395D+01 -0.289426D+01  0.682648D+01 -0.372948D+02 -0.558939D+00
      3  -0.463600D+00 -0.100965D+01  0.304938D+01 -0.255521D+02 -0.889855D+00
      4  -0.111822D+01  0.175064D+01 -0.723324D+01  0.977022D+00  0.109303D+02
      5   0.377295D+01 -0.815565D+01  0.231782D+01  0.447254D+01  0.117239D+01
      6   0.563955D+00  0.139892D+02 -0.394319D+01  0.771906D+00  0.488241D+00
                21            22            23            24            25 
      1   0.250067D+01 -0.800651D+01  0.435510D+01 -0.620373D+00  0.691685D+01
      2  -0.241872D+01  0.412727D+01 -0.560324D+00  0.918308D+00 -0.626919D+01
      3  -0.819523D-01  0.387924D+01 -0.379478D+01 -0.297935D+00 -0.647653D+00
      4   0.872615D+00  0.125116D+02 -0.137084D+02  0.319637D+01  0.148846D+01
      5   0.168211D+02 -0.425502D+00  0.321384D+01 -0.544935D+00  0.192895D+02
      6   0.132829D+01  0.182076D+00  0.105697D+00  0.434514D+01 -0.116694D+01
                26            27            28            29            30 
      1   0.108249D+01  0.972495D+01 -0.138325D+01  0.590468D+01  0.150710D+01
      2  -0.925994D-01 -0.112803D+02  0.225188D+01 -0.530389D+01  0.388944D+01
      3  -0.989886D+00  0.155531D+01 -0.868626D+00 -0.600785D+00 -0.539653D+01
      4   0.366483D+01 -0.942645D-01 -0.129077D+01 -0.334960D+01 -0.279450D-01
      5   0.185179D+01  0.705222D+01 -0.154423D+01  0.184138D+01  0.567221D+00
      6   0.375356D+01 -0.149863D+00 -0.197281D+01  0.139407D+01 -0.245795D+01
                31            32            33            34            35 
      1   0.186283D+01 -0.144218D+01  0.447184D+01  0.177120D+01  0.307547D+01
      2   0.330700D+00 -0.196750D+01  0.305470D+01  0.314210D+01 -0.873419D+00
      3  -0.219353D+01  0.340967D+01 -0.752653D+01 -0.491330D+01 -0.220205D+01
      4  -0.860277D+01 -0.689764D+01  0.182792D+01 -0.157510D+01  0.215721D+01
      5   0.109565D+01  0.975210D+00 -0.274372D+01  0.149205D+01  0.154585D+01
      6   0.170538D+01  0.148733D+01 -0.368589D+01  0.311871D+01  0.757806D+00
                36            37            38            39            40 
      1   0.838244D+01  0.112543D+01 -0.680459D+01  0.212585D+01 -0.131437D+01
      2   0.774091D+01 -0.123119D+01  0.435059D+01  0.229920D+01 -0.162811D+01
      3  -0.161233D+02  0.105761D+00  0.245400D+01 -0.442504D+01  0.294249D+01
      4   0.464974D+01 -0.971448D+00 -0.359229D+01 -0.246395D+00 -0.819699D+01
      5   0.820216D+00 -0.417715D+00 -0.142899D+01 -0.159000D+00 -0.926845D+00
      6  -0.128874D+01  0.184604D+01  0.502216D+00  0.324629D+01  0.281398D+01
                41            42            43            44            45 
      1  -0.131973D+01 -0.438031D+01  0.385489D+01 -0.353102D+01  0.897157D+01
      2  -0.257403D+01 -0.305570D+01  0.268958D+01 -0.765049D+00  0.627922D+01
      3   0.389377D+01  0.743600D+01 -0.654447D+01  0.429607D+01 -0.152508D+02
      4   0.201433D+01  0.194028D+01  0.472681D-01  0.125331D+01 -0.548908D+01
      5  -0.244443D-01  0.261102D+01  0.783601D+00 -0.196926D+01  0.103350D+01
      6  -0.171934D+01 -0.359315D+01 -0.302725D+01  0.114279D+01  0.116829D+01
                46            47            48            49            50 
      1  -0.432911D+02  0.738242D+01 -0.178771D+01  0.173109D+02  0.118721D+02
      2   0.283877D+02 -0.207135D+01  0.440725D+01 -0.111838D+02 -0.154891D+02
      3   0.149034D+02 -0.531107D+01 -0.261954D+01 -0.612712D+01  0.361701D+01
      4   0.919530D+01 -0.109078D+02  0.715329D+00  0.225124D+01  0.436344D+01
      5  -0.502888D+01  0.209759D+01 -0.127433D+02  0.261103D+01  0.855629D+00
      6   0.208165D+00 -0.827540D+00  0.399224D+01  0.137172D+01 -0.302313D+00
                51            52            53            54            55 
      1   0.362407D+01 -0.996965D+01  0.554384D+01 -0.684075D+01  0.943079D+02
      2  -0.971839D+00  0.758142D+01 -0.282723D+01 -0.211083D+01 -0.567421D+02
      3  -0.265223D+01  0.238823D+01 -0.271660D+01  0.895158D+01 -0.375658D+02
      4   0.101264D+01  0.209418D+01 -0.311179D+01  0.274658D+01 -0.632588D+01
      5   0.614809D+01  0.922087D+00  0.128427D+01 -0.688382D+01  0.860429D+01
      6  -0.713205D+01 -0.233147D-01  0.222333D+01 -0.222671D+01 -0.113612D+01
                56            57            58            59            60 
      1  -0.123065D+02  0.488498D+01 -0.108555D+02  0.966343D+01 -0.126341D+01
      2   0.895198D+01 -0.505474D+01  0.784117D+01 -0.221695D+01  0.109061D+01
      3   0.335450D+01  0.169758D+00  0.301436D+01 -0.744648D+01  0.172800D+00
      4   0.232604D+02 -0.811507D+00  0.195239D+02 -0.888003D+01  0.257343D+01
      5  -0.187194D+01  0.237712D+02 -0.175418D+01  0.262276D+01 -0.500737D+01
      6   0.146643D+01 -0.130027D+01  0.118437D+01 -0.157200D+00  0.558181D+01
                61            62            63            64            65 
      1   0.941423D+01 -0.272722D+01  0.142375D+02  0.140748D+02 -0.867870D+01
      2  -0.885151D+01  0.202645D+01 -0.144759D+02 -0.617891D+01  0.159858D+02
      3  -0.562716D+00  0.700775D+00  0.238431D+00 -0.789586D+01 -0.730710D+01
      4  -0.251818D+01  0.462576D+01 -0.208178D+01  0.159983D+02  0.146011D+02
      5   0.250528D+02 -0.374852D+01  0.114159D+02 -0.262061D+01 -0.139284D+01
      6   0.141635D+01  0.440911D+01  0.147064D+00 -0.313592D+01 -0.335824D+01
                66            67            68            69            70 
      1   0.213234D+00 -0.536543D+01 -0.286116D+01  0.103338D+01 -0.480392D+00
      2  -0.724690D+00  0.898413D+01  0.102723D+02 -0.338221D+01  0.140741D+01
      3   0.511456D+00 -0.361870D+01 -0.741118D+01  0.234883D+01 -0.927015D+00
      4  -0.287193D+01  0.140941D+02  0.187502D+02 -0.190871D+01 -0.170337D+01
      5   0.705371D+01 -0.107776D+01 -0.393677D+01  0.358810D+01  0.578435D+01
      6   0.441570D+01 -0.169853D+01 -0.512583D+01  0.917188D+01  0.355790D+01
                71            72            73            74            75 
      1   0.443678D+01 -0.451946D+01 -0.362627D+01 -0.276253D+01 -0.272105D+01
      2  -0.301617D+01 -0.768355D+00  0.368056D+01  0.161979D+01  0.160475D+00
      3  -0.142061D+01  0.528781D+01 -0.542856D-01  0.114275D+01  0.256058D+01
      4  -0.239834D+01  0.469260D+01  0.279545D+01  0.116093D+01  0.203364D+01
      5   0.321447D+01 -0.296910D+01 -0.237492D+01  0.416014D-01  0.477414D+01
      6   0.816329D+01 -0.366620D+01  0.341492D+01 -0.971333D+00 -0.172419D+00
                76            77            78            79            80 
      1  -0.136419D+01 -0.178059D+02 -0.171372D+01 -0.209210D+01 -0.479340D+01
      2  -0.136749D+01  0.288699D+02  0.280755D+01  0.141160D+01  0.363200D+01
      3   0.273168D+01 -0.110640D+02 -0.109383D+01  0.680494D+00  0.116139D+01
      4   0.130672D+02 -0.186849D+02 -0.390881D+01  0.454658D+01 -0.548234D+01
      5   0.177961D+01 -0.350456D+01 -0.469981D+01  0.471539D+01 -0.338246D+01
      6  -0.307611D+01  0.723407D+01  0.113970D+02 -0.183970D+01  0.939522D+01
                81            82            83            84            85 
      1  -0.693887D+01  0.911020D+01  0.283212D+01  0.109034D+01 -0.151519D+01
      2   0.149810D+01 -0.199363D+01 -0.269547D+00 -0.109612D+01  0.196096D+01
      3   0.544077D+01 -0.711657D+01 -0.256257D+01  0.577612D-02 -0.445774D+00
      4  -0.347763D+01  0.197378D+02  0.199882D+02  0.145244D+01  0.823692D+01
      5  -0.379634D+01  0.880119D+00  0.180176D+00  0.695426D+01 -0.531758D+00
      6   0.512878D+01  0.302492D+01 -0.127572D+00  0.467265D+00 -0.169098D+01
                86            87            88            89            90 
      1  -0.225021D+02 -0.148604D+01  0.146765D+01 -0.261366D+01 -0.791074D+01
      2   0.361618D+02  0.812174D+00 -0.128343D+01  0.178462D+01  0.446404D+01
      3  -0.136597D+02  0.673865D+00 -0.184211D+00  0.829039D+00  0.344670D+01
      4   0.182993D+02 -0.319596D+00  0.250188D+01  0.184842D+01  0.631557D+01
      5  -0.589482D+00  0.132329D+01  0.412729D+01  0.645877D+01  0.129019D+01
      6   0.908335D+00  0.128971D+02 -0.374946D+00  0.122257D+02  0.244156D+01
                91            92            93            94            95 
      1  -0.188328D+01 -0.109047D+01 -0.311528D+01 -0.156584D+01 -0.263735D+01
      2  -0.362006D+01 -0.314683D+00 -0.213483D+01 -0.671031D+00 -0.124748D+01
      3   0.550334D+01  0.140516D+01  0.525011D+01  0.223687D+01  0.388483D+01
      4  -0.119204D+01  0.107592D+01 -0.810534D+00  0.225709D+01 -0.650934D+00
      5   0.169552D+01  0.123211D+00  0.472549D+01  0.393830D+00 -0.255728D+00
      6   0.269165D+00  0.800365D+00 -0.188401D+00  0.748920D+00  0.120234D+01
                96            97            98            99           100 
      1  -0.214364D+01 -0.326488D+01 -0.433680D+00 -0.176763D+02 -0.245691D+01
      2  -0.283340D+01 -0.249661D+01 -0.231554D+01 -0.148428D+02 -0.291652D+01
      3   0.497703D+01  0.576149D+01  0.274922D+01  0.325192D+02  0.537343D+01
      4  -0.982500D+00 -0.377571D+00 -0.232039D+01 -0.109482D+01  0.150217D+01
      5  -0.189987D+00  0.430954D+01 -0.225111D+00 -0.238531D+01  0.160223D+01
      6   0.537490D+01 -0.315430D+00  0.444023D+01 -0.942906D+00 -0.284459D+00
               101           102           103           104           105 
      1   0.145672D+01 -0.336049D+01  0.200329D+01 -0.244611D+01  0.243057D+01
      2   0.128939D+00 -0.185835D+01  0.499609D+00 -0.147811D+01  0.280334D+01
      3  -0.158566D+01  0.521884D+01 -0.250290D+01  0.392421D+01 -0.523391D+01
      4   0.160988D+01  0.812938D+00  0.221746D+01  0.101839D+01 -0.122926D+01
      5  -0.261932D+00  0.477465D+01 -0.556357D+00 -0.161544D+00  0.355709D+00
      6   0.851180D+00  0.102717D+00  0.839019D+00 -0.148717D+01  0.524543D+01
               106           107           108           109           110 
      1  -0.474446D+01  0.102642D+01 -0.182105D+02 -0.105699D+02  0.403104D+01
      2  -0.228523D+01  0.274016D+01 -0.135998D+02  0.527491D+01 -0.483389D+01
      3   0.702970D+01 -0.376658D+01  0.318103D+02  0.529495D+01  0.802856D+00
      4   0.751983D+00 -0.217291D+01  0.180609D+01 -0.159135D+02 -0.111087D+02
      5   0.418760D+01  0.165893D+00 -0.228469D+01 -0.826617D+00  0.163001D+00
      6   0.609043D+00  0.438149D+01  0.942874D+00 -0.244004D+01 -0.592949D+00
               111           112           113           114           115 
      1   0.115874D+00  0.176251D+01 -0.547915D+01  0.112556D-01 -0.998289D+00
      2  -0.142292D+00 -0.155744D+01  0.753142D+01 -0.179340D+00  0.437817D+00
      3   0.264183D-01 -0.205070D+00 -0.205226D+01  0.168085D+00  0.560472D+00
      4  -0.903181D+00  0.802994D+00  0.153300D+01  0.788343D-03 -0.222564D+01
      5  -0.486347D+01  0.456173D-01 -0.294493D+00  0.577812D+00  0.282183D+00
      6  -0.129201D+01 -0.204893D-01 -0.159216D+00  0.171755D+01 -0.149716D+00
               116           117           118           119           120 
      1   0.543959D+00 -0.194537D+01  0.576776D+01  0.584759D+01 -0.552774D+00
      2  -0.784636D+00  0.670852D+00 -0.190563D+01 -0.231975D+01  0.800335D+00
      3   0.240677D+00  0.127452D+01 -0.386213D+01 -0.352784D+01 -0.247561D+00
      4  -0.146475D+01  0.239823D+00  0.677734D+01  0.461605D+01  0.155866D+00
      5   0.538784D+00 -0.315334D+00 -0.868675D+00  0.274573D+00  0.192476D+01
      6   0.245194D+01 -0.339922D+00 -0.209106D+00  0.251070D+00  0.115401D+01
               121           122           123           124           125 
      1   0.186846D+02  0.365434D+01  0.143963D+01 -0.266613D+01 -0.320070D-01
      2  -0.103093D+02 -0.662078D+00 -0.159319D+01  0.166545D+01 -0.256145D-01
      3  -0.837534D+01 -0.299226D+01  0.153560D+00  0.100068D+01  0.576215D-01
      4   0.750454D+01  0.211022D+02 -0.940553D+00  0.312982D+00 -0.171113D+01
      5   0.190175D+01 -0.126389D+01  0.481096D+01  0.326154D+01  0.250094D+01
      6   0.115646D+01  0.820699D+00  0.280707D+00  0.681191D+00  0.152928D+01
               126           127           128           129           130 
      1   0.989989D+00 -0.472320D+01  0.774574D+01 -0.891669D+00  0.563665D+01
      2  -0.949654D+00  0.423511D+01 -0.108092D+02 -0.541489D+00 -0.546721D+01
      3  -0.403343D-01  0.488087D+00  0.306346D+01  0.143316D+01 -0.169434D+00
      4   0.267428D+01 -0.553492D+01 -0.880294D+00  0.134767D+01  0.395557D+01
      5  -0.132032D+00  0.110551D+01 -0.663534D+00 -0.132629D+01 -0.100004D+01
      6   0.523446D+00  0.142143D+01  0.208404D+01 -0.165403D+01 -0.484156D+00
               131           132           133           134           135 
      1  -0.157132D+02 -0.427369D-01  0.205105D+01 -0.194863D+01 -0.238874D+01
      2   0.236700D+02  0.985275D+00 -0.130790D+01  0.295208D+01  0.246196D+01
      3  -0.795684D+01 -0.942538D+00 -0.743153D+00 -0.100345D+01 -0.732166D-01
      4   0.331809D+01 -0.572710D+00  0.119983D+01  0.137206D+01  0.164965D-01
      5   0.651456D+00  0.167866D+01  0.835984D+00  0.580582D+00  0.107229D+01
      6  -0.141787D+01  0.412317D+01 -0.440037D+00  0.386325D+01  0.753291D-01
               136           137           138           139           140 
      1   0.130665D+02  0.214185D+01  0.260595D+01 -0.332818D+01  0.366534D+01
      2  -0.412509D+01 -0.698717D+01 -0.211981D+00  0.247755D+00 -0.120821D+01
      3  -0.894136D+01  0.484532D+01 -0.239397D+01  0.308042D+01 -0.245713D+01
      4  -0.156670D+02  0.131444D+02 -0.469877D+00  0.520881D+01 -0.211276D+01
      5  -0.497295D+00  0.148487D+01  0.292414D+01 -0.432693D+00  0.114858D+01
      6  -0.141476D+01 -0.138827D+01 -0.432319D+01  0.900955D-01 -0.991810D+00
               141           142           143           144 
      1   0.423313D+00  0.175296D+01  0.239081D+01  0.109215D+01
      2  -0.309639D+00 -0.587759D+00 -0.341782D+01 -0.112541D+01
      3  -0.113674D+00 -0.116520D+01  0.102701D+01  0.332676D-01
      4   0.116115D+01 -0.393578D+01  0.358973D+01 -0.262789D+01
      5  -0.154816D+01  0.324200D+01 -0.167344D+01  0.765708D+00
      6   0.720291D+00 -0.196930D+01  0.194677D+01 -0.180232D+01
 Leave Link  716 at Fri Jul 23 15:26:41 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.849494D+02 -0.340041D-01  0.227692D+01
      2  -0.340041D-01  0.764442D+02 -0.500416D+00
      3   0.227692D+01 -0.500416D+00  0.531759D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.382871D+01 -0.844638D+00 -0.490296D+01
      2  -0.157400D+01 -0.435955D+01 -0.316966D+01
      3  -0.144557D+02 -0.150319D+01  0.100538D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.116440D+02  0.235325D+02 -0.450058D+01
      2   0.541936D+01 -0.145113D+02  0.380080D+01
      3   0.622468D+01 -0.902123D+01  0.699780D+00
      4   0.180926D+02 -0.231191D+01 -0.102258D+02
      5  -0.417064D+01 -0.802962D+01 -0.327487D+01
      6  -0.713227D+01  0.823278D+00  0.756131D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.154400D+01 -0.687553D+00  0.305593D-01  0.277435D+01  0.144339D+01
      2  -0.687553D+00  0.186947D+01 -0.250097D+00  0.144339D+01  0.489889D+01
      3   0.305593D-01 -0.250097D+00  0.320628D+00 -0.308176D+00 -0.186185D+00
                 6             7             8             9            10 
      1  -0.308176D+00 -0.164729D+01  0.181245D+00  0.327103D+00 -0.230196D+01
      2  -0.186185D+00  0.181245D+00 -0.715101D+00 -0.106132D+00 -0.220346D+01
      3  -0.282559D-01  0.327103D+00 -0.106132D+00 -0.799079D+00  0.246175D+00
                11            12            13            14            15 
      1  -0.220346D+01  0.246175D+00 -0.569444D+01 -0.427546D+00  0.208210D-01
      2  -0.703423D+00  0.435535D-01 -0.427546D+00 -0.115685D+02  0.579073D+00
      3   0.435535D-01 -0.395971D+00  0.208210D-01  0.579073D+00 -0.196922D+01
                16            17            18            19            20 
      1   0.921727D+00  0.833528D-01 -0.288827D+00  0.858759D+01  0.273603D+00
      2   0.833528D-01  0.879875D+00 -0.260959D+01  0.273603D+00  0.879434D+00
      3  -0.288827D+00 -0.260959D+01  0.885523D+00  0.522063D+00  0.588988D-01
                21            22            23            24            25 
      1   0.522063D+00 -0.195999D+01  0.123391D+01 -0.182855D+00  0.174614D+01
      2   0.588988D-01  0.123391D+01 -0.294414D+01  0.642450D+00 -0.134082D+00
      3   0.119424D+01 -0.182855D+00  0.642450D+00 -0.103420D+00  0.229182D+01
                26            27            28            29            30 
      1  -0.134082D+00  0.229182D+01  0.554335D+01 -0.874527D+00 -0.116144D+01
      2   0.830888D+00  0.485557D+00 -0.874527D+00 -0.916732D+00  0.547458D+00
      3   0.485557D+00  0.926615D+00 -0.116144D+01  0.547458D+00  0.241013D+01
                31            32            33            34            35 
      1  -0.405534D+00 -0.203597D+01  0.101906D+01 -0.305423D+01  0.610616D+00
      2  -0.203597D+01 -0.971656D+00  0.139557D+00  0.610616D+00  0.534973D-01
      3   0.101906D+01  0.139557D+00  0.172433D+01  0.300887D+01  0.417678D+00
                36            37            38            39            40 
      1   0.300887D+01 -0.563613D+01  0.169047D+01  0.110936D+01  0.166319D+00
      2   0.417678D+00  0.169047D+01  0.121872D+01  0.657706D+00  0.214662D+01
      3   0.449620D+01  0.110936D+01  0.657706D+00 -0.218252D+01  0.117115D+01
                41            42            43            44            45 
      1   0.214662D+01  0.117115D+01  0.311470D+01  0.145527D+00 -0.297402D+01
      2  -0.333459D-01  0.432834D-01  0.145527D+00  0.377702D+00  0.116691D+01
      3   0.432834D-01  0.186592D+01 -0.297402D+01  0.116691D+01 -0.430933D+01
                46            47            48            49            50 
      1   0.662444D+01 -0.281148D+01  0.625522D+00 -0.397137D+01 -0.104903D+01
      2  -0.281148D+01  0.106755D+01 -0.230977D+00 -0.104903D+01 -0.281494D+00
      3   0.625522D+00 -0.230977D+00  0.700207D+00 -0.785351D+00 -0.232963D+00
                51            52            53            54            55 
      1  -0.785351D+00  0.148927D+01 -0.383440D+00  0.305554D+00 -0.145063D+02
      2  -0.232963D+00 -0.383440D+00  0.501571D+00 -0.796080D+00  0.219307D+01
      3  -0.114836D+01  0.305554D+00 -0.796080D+00  0.826098D+00 -0.115017D+01
                56            57            58            59            60 
      1   0.219307D+01 -0.115017D+01  0.227657D+01 -0.254792D+01  0.257222D+00
      2  -0.368877D+01  0.131784D+00 -0.254792D+01  0.247216D+01 -0.363736D+00
      3   0.131784D+00 -0.229894D+01  0.257222D+00 -0.363736D+00  0.968044D+00
                61            62            63            64            65 
      1  -0.208908D+01  0.292814D+00 -0.332854D+01  0.500425D+01  0.127123D+01
      2   0.292814D+00 -0.912103D+00  0.831826D+00  0.127123D+01  0.400023D+01
      3  -0.332854D+01  0.831826D+00 -0.166081D+01 -0.621706D+00 -0.464267D+00
                66            67            68            69            70 
      1  -0.621706D+00  0.610873D-01  0.291565D+01 -0.317160D+00 -0.563037D+00
      2  -0.464267D+00  0.291565D+01  0.288233D+01 -0.988876D+00 -0.177150D-01
      3   0.356657D+00 -0.317160D+00 -0.988876D+00 -0.226782D+00  0.736828D+00
                71            72            73            74            75 
      1  -0.177150D-01  0.736828D+00  0.238283D+01  0.132838D+01  0.654436D+00
      2  -0.107646D+01  0.127884D+01  0.132838D+01  0.165493D+01 -0.167150D+00
      3   0.127884D+01 -0.723110D+00  0.654436D+00 -0.167150D+00  0.874617D+00
                76            77            78            79            80 
      1   0.154210D+01 -0.103454D+01 -0.668209D+00  0.116882D+01 -0.389230D+00
      2  -0.103454D+01  0.627307D+01  0.116135D+01 -0.389230D+00  0.169290D+01
      3  -0.668209D+00  0.116135D+01  0.475396D+00 -0.343428D+00  0.158195D+01
                81            82            83            84            85 
      1  -0.343428D+00 -0.770845D+01 -0.143516D+01 -0.676668D+00  0.566784D+00
      2   0.158195D+01 -0.143516D+01 -0.157651D+01 -0.775717D-01 -0.466677D+00
      3   0.110812D+01 -0.676668D+00 -0.775717D-01 -0.220941D+00  0.327309D+00
                86            87            88            89            90 
      1  -0.466677D+00  0.327309D+00 -0.131763D+01  0.347625D-01  0.989395D-01
      2  -0.691124D+01 -0.263414D+00  0.347625D-01 -0.692568D+00 -0.191886D+01
      3  -0.263414D+00 -0.100690D+01  0.989395D-01 -0.191886D+01 -0.433155D+00
                91            92            93            94            95 
      1  -0.188294D+01 -0.255759D+00 -0.117836D+01 -0.446385D+00  0.191790D+00
      2  -0.255759D+00 -0.247864D+00 -0.157000D+00  0.191790D+00 -0.498280D+00
      3  -0.117836D+01 -0.157000D+00 -0.160502D+01 -0.374002D+00 -0.127582D+01
                96            97            98            99           100 
      1  -0.374002D+00 -0.140776D+01 -0.289294D+00 -0.106448D+01  0.204821D+01
      2  -0.127582D+01 -0.289294D+00 -0.172339D+01 -0.513706D+00 -0.570361D+00
      3  -0.102246D+01 -0.106448D+01 -0.513706D+00 -0.733565D+01  0.118185D+01
               101           102           103           104           105 
      1  -0.570361D+00  0.118185D+01 -0.671403D+00 -0.872438D-01 -0.367364D+00
      2   0.162069D+00 -0.202680D+00 -0.872438D-01 -0.608577D+00  0.126175D+01
      3  -0.202680D+00  0.158838D+01 -0.367364D+00  0.126175D+01 -0.111287D+01
               106           107           108           109           110 
      1   0.146519D+01 -0.209765D+00  0.133317D+01  0.869847D+01 -0.444075D+00
      2  -0.209765D+00  0.154346D+01 -0.741810D+00 -0.444075D+00  0.127358D+01
      3   0.133317D+01 -0.741810D+00  0.721914D+01  0.456371D+00  0.167513D+00
               111           112           113           114           115 
      1   0.456371D+00 -0.499781D+00  0.285854D+00 -0.890295D-02  0.126810D+01
      2   0.167513D+00  0.285854D+00 -0.164564D+01  0.632746D-01 -0.504061D-01
      3   0.335534D+00 -0.890295D-02  0.632746D-01 -0.523724D+00 -0.284788D-01
               116           117           118           119           120 
      1  -0.504061D-01 -0.284788D-01  0.130287D+01  0.120753D+01 -0.133401D+00
      2   0.289025D+00 -0.504451D+00  0.120753D+01  0.537566D+00  0.138399D+00
      3  -0.504451D+00  0.733173D-01 -0.133401D+00  0.138399D+00  0.586918D+00
               121           122           123           124           125 
      1   0.355445D+01  0.104563D+01  0.408780D+00 -0.414393D+00  0.109305D+00
      2   0.104563D+01  0.421956D+01 -0.316077D+00  0.109305D+00 -0.413512D+00
      3   0.408780D+00 -0.316077D+00  0.768564D+00  0.539296D+00  0.392804D+00
               126           127           128           129           130 
      1   0.539296D+00 -0.224112D+01  0.547718D+00  0.548612D+00  0.193399D+01
      2   0.392804D+00  0.547718D+00 -0.227314D+01  0.477285D-01 -0.699796D+00
      3   0.112214D+00  0.548612D+00  0.477285D-01 -0.467476D+00 -0.223652D+00
               131           132           133           134           135 
      1  -0.699796D+00 -0.223652D+00  0.704691D+00 -0.913241D-01 -0.660648D-01
      2   0.473702D+01  0.439444D-01 -0.913241D-01  0.571810D+00  0.702726D+00
      3   0.439444D-01  0.106530D+01 -0.660648D-01  0.702726D+00 -0.220979D-01
               136           137           138           139           140 
      1  -0.437107D+01  0.770387D+00 -0.453195D+00  0.773258D+00 -0.914119D+00
      2   0.770387D+00 -0.325712D+01 -0.243300D+00 -0.914119D+00 -0.201722D-01
      3  -0.453195D+00 -0.243300D+00 -0.119644D+01  0.313279D-01 -0.307605D+00
               141           142           143           144 
      1   0.313279D-01 -0.138524D+01  0.107634D+00 -0.547740D+00
      2  -0.307605D+00  0.107634D+00 -0.120759D+01  0.332327D+00
      3   0.274428D+00 -0.547740D+00  0.332327D+00 -0.364009D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.444916D+00 -0.186327D+01  0.127037D+01 -0.375046D+01  0.279796D+01
      2   0.355862D+01 -0.308533D+01 -0.430886D+01 -0.441525D+01  0.736902D+00
      3  -0.480375D+00 -0.384668D+01  0.209528D+01 -0.728208D+01 -0.581266D+01
                 6             7             8             9            10 
      1   0.777786D+01 -0.693928D+00  0.946062D+01 -0.286268D+01  0.133901D+00
      2   0.232809D+00 -0.131481D+02  0.255462D+01 -0.466978D+01 -0.243161D+00
      3   0.172091D+01  0.440047D+01  0.250148D+01 -0.136754D+01  0.697129D+01
                11            12            13            14            15 
      1   0.170392D+00 -0.386451D+00  0.215462D+00  0.119018D-01 -0.104390D+02
      2   0.651285D+00  0.318607D+01  0.941995D+00  0.820768D+00 -0.193594D+01
      3  -0.876343D+00 -0.913363D+00  0.181754D+02  0.178154D+02 -0.110346D+01
                16            17            18            19            20 
      1   0.145031D+01 -0.405390D+00  0.222175D+01  0.581873D+00  0.703391D+00
      2  -0.262135D+01 -0.534563D+01  0.217113D+01  0.828287D+00  0.467134D+00
      3  -0.274248D+01 -0.122113D+01  0.508893D+01 -0.235298D+01 -0.970042D+01
                21            22            23            24            25 
      1  -0.599270D+00  0.813294D+00 -0.151619D+01 -0.231248D+01  0.175235D+01
      2   0.859474D+01  0.800069D+00  0.175983D+01 -0.138592D+01  0.490704D+01
      3  -0.358096D+00 -0.458923D+00  0.123049D+02 -0.253509D+01 -0.897077D+00
                26            27            28            29            30 
      1   0.162364D+01  0.460551D+00  0.350085D+00  0.129912D+01  0.131439D+01
      2  -0.149476D+01  0.346902D+01 -0.295477D+01  0.105752D+01  0.378219D+01
      3  -0.396122D+01 -0.183280D+01  0.669561D+00 -0.322894D+01 -0.430355D+00
                31            32            33            34            35 
      1   0.325976D+01  0.427081D-01 -0.261880D+01 -0.187524D+01  0.268050D+01
      2   0.276636D+01 -0.581442D+00 -0.134982D+01 -0.285984D+01  0.899089D+00
      3   0.523100D+01  0.148801D+01 -0.881957D+00 -0.186718D+01 -0.263235D+00
                36            37            38            39            40 
      1  -0.157266D+01 -0.493704D+00  0.192805D+01 -0.108081D+01  0.126291D+01
      2   0.377295D+01 -0.146385D+01 -0.101464D+01  0.300024D+01 -0.260690D+01
      3   0.740767D-01  0.784523D+00 -0.161347D+01  0.341545D+00  0.677120D+01
                41            42            43            44            45 
      1  -0.380626D-01 -0.238105D+01  0.134487D+01  0.193013D+01  0.209297D+01
      2  -0.944780D+00  0.674740D+00 -0.365854D+01 -0.179371D+01  0.355676D+01
      3   0.105274D+01  0.522591D+00  0.260202D+01 -0.591691D+00  0.478771D+00
                46            47            48            49            50 
      1  -0.266777D+00 -0.474981D+01 -0.151611D+01 -0.386833D+01 -0.280170D+01
      2   0.410926D+01  0.314717D+01 -0.820099D+01  0.376273D+01  0.187889D+01
      3  -0.631450D+01  0.669352D+01 -0.151464D+01  0.379215D+01 -0.520806D+01
                51            52            53            54            55 
      1   0.517013D+01  0.229290D+01  0.122744D+02  0.249981D+01 -0.864642D+00
      2   0.238268D+01 -0.127497D+02 -0.220258D+01 -0.553504D+01  0.263056D+00
      3   0.172051D+01 -0.224944D+01  0.491180D+01 -0.878506D+00  0.101108D+02
                56            57            58            59            60 
      1   0.222285D+01  0.602131D+00  0.109538D+01 -0.497233D+00 -0.344690D+01
      2  -0.844970D+00  0.135954D+02 -0.990816D+00  0.463502D-01 -0.208811D+01
      3  -0.192485D+02  0.775364D+00 -0.346192D+01  0.103760D+02 -0.931836D+00
                61            62            63            64            65 
      1  -0.277332D+01  0.159020D+01 -0.100833D+01  0.163497D+01 -0.222040D+01
      2   0.454384D+01  0.577604D+00  0.517572D+01  0.158681D+01  0.854845D-01
      3   0.965356D+00 -0.419698D+01  0.353424D+01  0.120073D+02 -0.927293D+01
                66            67            68            69            70 
      1  -0.270693D+01 -0.257663D+01 -0.739910D+00 -0.337037D+01 -0.138816D+01
      2   0.364246D+01 -0.203665D+00 -0.349170D-01  0.183861D+01 -0.204807D+01
      3  -0.175776D+01 -0.278033D+01  0.160631D+01  0.180885D+01 -0.303779D+01
                71            72            73            74            75 
      1   0.296217D+01  0.737999D+00 -0.134691D+01 -0.737975D+00 -0.561502D+00
      2   0.123588D+01 -0.886104D+00 -0.190036D+01 -0.159067D+01  0.141619D+01
      3   0.157315D+01  0.895123D-01  0.115180D+02  0.607507D+01  0.269834D+01
                76            77            78            79            80 
      1  -0.212744D+00  0.292027D+01 -0.553199D+01 -0.233694D-01  0.138433D+01
      2  -0.377042D+00 -0.526519D+00 -0.193104D+01 -0.330468D+01 -0.384726D+00
      3   0.762057D+01  0.688862D+01  0.188216D+00  0.423793D+01  0.320211D+01
                81            82            83            84            85 
      1  -0.136548D+01 -0.129926D+01  0.109893D+01 -0.857673D+00  0.360428D-01
      2  -0.150977D+01 -0.395640D-01 -0.183386D+00  0.372357D+01 -0.913869D+00
      3   0.170551D+01  0.222210D+02 -0.539195D+01  0.159425D+01  0.479047D+01
                86            87            88            89            90 
      1   0.332735D-02 -0.717551D+01 -0.203924D+01 -0.235213D+01 -0.171751D+01
      2   0.154151D+00  0.163387D+00 -0.110900D+01  0.407080D+01  0.136444D+01
      3  -0.807742D+01 -0.714023D+00  0.446505D+01 -0.185406D+01 -0.331956D+01
                91            92            93            94            95 
      1   0.947772D+00  0.922098D+00  0.818281D+00  0.753026D+00  0.816058D+00
      2  -0.225414D+01 -0.463874D+00 -0.793519D+00 -0.116893D+01 -0.130625D+01
      3  -0.614133D+00 -0.344894D+00 -0.295649D+00  0.865372D+00  0.251299D+00
                96            97            98            99           100 
      1   0.858979D+00  0.669552D+00  0.331224D+01  0.237404D+01 -0.106526D+01
      2  -0.766359D+00 -0.343296D+01 -0.306205D+00 -0.437157D+01 -0.224114D+01
      3   0.792035D+00 -0.263376D+00  0.526726D+00 -0.347124D+00  0.169944D+00
               101           102           103           104           105 
      1   0.894186D+00 -0.900685D+00  0.803605D+00 -0.143760D+01  0.777083D+00
      2   0.586380D+00 -0.687609D+00  0.124368D+01 -0.102196D+01  0.780718D+00
      3  -0.745933D+00  0.266326D+00  0.804357D+00 -0.694101D+00  0.817198D+00
               106           107           108           109           110 
      1  -0.873882D+00  0.298323D+01 -0.279486D+01  0.139142D+01 -0.390467D+00
      2  -0.370853D+01  0.693777D+00 -0.427412D+01  0.298664D+00 -0.193137D+00
      3  -0.153679D+00  0.381850D+00 -0.229051D+00 -0.277832D+02  0.658916D+01
               111           112           113           114           115 
      1   0.106756D+01 -0.401366D+00  0.155282D+00 -0.577684D+00  0.371736D+00
      2  -0.277425D+01 -0.462584D-01 -0.170560D+00  0.349147D+00 -0.278008D+01
      3  -0.134911D+01  0.404888D+01 -0.184744D+01  0.143717D+00 -0.390433D+01
               116           117           118           119           120 
      1   0.535817D+00  0.290764D+00  0.356792D+00 -0.509848D+00 -0.836009D+00
      2   0.318825D+00 -0.260982D+00 -0.211388D+00  0.706781D-01  0.675645D+00
      3   0.109410D+01 -0.148562D+00 -0.407255D+01 -0.201168D+00 -0.592139D+00
               121           122           123           124           125 
      1  -0.698129D-01  0.200933D+01 -0.309351D+00  0.115554D+00  0.996702D+00
      2   0.564339D+00 -0.152365D+01  0.313993D+01 -0.404061D-01  0.178084D+01
      3  -0.107449D+01 -0.184890D+02  0.194050D+01 -0.119049D-02  0.250401D+01
               126           127           128           129           130 
      1  -0.301657D+00 -0.279218D+01  0.155891D+01  0.167464D+01  0.120972D+01
      2  -0.381258D+00 -0.101251D+01  0.264499D+00 -0.691248D+00  0.509310D+00
      3  -0.972142D+00 -0.106625D+02  0.511145D+01  0.256198D+01  0.781244D+01
               131           132           133           134           135 
      1  -0.222349D+01 -0.264830D+01  0.394128D+00 -0.114869D+01 -0.533247D+00
      2  -0.320429D+00  0.686664D+00 -0.104998D+01  0.454288D+00  0.656861D+00
      3  -0.813190D+01 -0.104801D+01  0.327553D+01 -0.153929D+01 -0.104506D+01
               136           137           138           139           140 
      1   0.228699D+01 -0.326157D+00  0.269808D+01  0.295591D+00  0.747463D+00
      2   0.281075D+01  0.795748D+00  0.243327D+01  0.134235D+00  0.103362D+01
      3  -0.121546D+02 -0.822583D+01 -0.287199D+01 -0.236617D+01 -0.354000D+01
               141           142           143           144 
      1  -0.365896D+00  0.125810D+01  0.400138D+00  0.122856D+01
      2  -0.791501D+00  0.572458D+00 -0.104083D+01  0.583660D+00
      3  -0.130206D+01 -0.482981D+01 -0.306763D+01 -0.830695D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.163186D+02  0.190635D+01 -0.183028D+00  0.104221D+01  0.240722D+02
      2   0.897260D+01 -0.475850D+01  0.177311D+01 -0.102250D+01 -0.302338D+02
      3   0.734600D+01  0.285215D+01 -0.159008D+01 -0.197056D-01  0.616157D+01
      4  -0.542551D+01 -0.407067D-02 -0.814474D+00 -0.399312D+01  0.792713D+01
      5  -0.188764D+01 -0.187590D+01 -0.730718D+01  0.428601D+00  0.897769D+00
      6   0.703847D+00 -0.295048D+00 -0.445700D+01  0.229440D+00  0.156978D+01
                 6             7             8             9            10 
      1  -0.263152D+01 -0.733841D+01 -0.559044D+01 -0.254260D+01 -0.278101D+01
      2  -0.167982D+00  0.557226D+01  0.421063D+01 -0.623914D+01  0.657220D+01
      3   0.279950D+01  0.176615D+01  0.137981D+01  0.878174D+01 -0.379119D+01
      4  -0.672226D+00  0.510697D+00 -0.160032D+01 -0.104246D+01 -0.469644D+01
      5  -0.214731D+01  0.289052D+01  0.979084D+00 -0.472426D+01 -0.167025D-01
      6  -0.869460D+01 -0.674508D+00  0.177124D+01  0.343209D+01 -0.106719D+01
                11            12            13            14            15 
      1  -0.909987D+01  0.603910D+00 -0.149651D+02 -0.360385D+02  0.118131D+01
      2   0.721250D+01 -0.664537D+00  0.916990D+01  0.530577D+02 -0.645887D+00
      3   0.188737D+01  0.606267D-01  0.579518D+01 -0.170192D+02 -0.535422D+00
      4   0.158997D+02 -0.935064D+00  0.141108D+02 -0.274254D+02  0.109872D+01
      5  -0.384073D+00  0.528445D+01 -0.155095D+01 -0.334334D+00 -0.421236D+01
      6  -0.276662D+00  0.113877D+01 -0.107428D+01 -0.246791D+01  0.154267D+02
                16            17            18            19            20 
      1   0.280755D+01  0.390392D+01 -0.987587D+01  0.628468D+02  0.144879D+01
      2  -0.234395D+01 -0.289426D+01  0.682648D+01 -0.372948D+02 -0.558939D+00
      3  -0.463600D+00 -0.100965D+01  0.304938D+01 -0.255521D+02 -0.889855D+00
      4  -0.111822D+01  0.175064D+01 -0.723324D+01  0.977022D+00  0.109303D+02
      5   0.377295D+01 -0.815565D+01  0.231782D+01  0.447254D+01  0.117239D+01
      6   0.563955D+00  0.139892D+02 -0.394319D+01  0.771906D+00  0.488241D+00
                21            22            23            24            25 
      1   0.250067D+01 -0.800651D+01  0.435510D+01 -0.620373D+00  0.691685D+01
      2  -0.241872D+01  0.412727D+01 -0.560324D+00  0.918308D+00 -0.626919D+01
      3  -0.819523D-01  0.387924D+01 -0.379478D+01 -0.297935D+00 -0.647653D+00
      4   0.872615D+00  0.125116D+02 -0.137084D+02  0.319637D+01  0.148846D+01
      5   0.168211D+02 -0.425502D+00  0.321384D+01 -0.544935D+00  0.192895D+02
      6   0.132829D+01  0.182076D+00  0.105697D+00  0.434514D+01 -0.116694D+01
                26            27            28            29            30 
      1   0.108249D+01  0.972495D+01 -0.138325D+01  0.590468D+01  0.150710D+01
      2  -0.925994D-01 -0.112803D+02  0.225188D+01 -0.530389D+01  0.388944D+01
      3  -0.989886D+00  0.155531D+01 -0.868626D+00 -0.600785D+00 -0.539653D+01
      4   0.366483D+01 -0.942645D-01 -0.129077D+01 -0.334960D+01 -0.279450D-01
      5   0.185179D+01  0.705222D+01 -0.154423D+01  0.184138D+01  0.567221D+00
      6   0.375356D+01 -0.149863D+00 -0.197281D+01  0.139407D+01 -0.245795D+01
                31            32            33            34            35 
      1   0.186283D+01 -0.144218D+01  0.447184D+01  0.177120D+01  0.307547D+01
      2   0.330700D+00 -0.196750D+01  0.305470D+01  0.314210D+01 -0.873419D+00
      3  -0.219353D+01  0.340967D+01 -0.752653D+01 -0.491330D+01 -0.220205D+01
      4  -0.860277D+01 -0.689764D+01  0.182792D+01 -0.157510D+01  0.215721D+01
      5   0.109565D+01  0.975210D+00 -0.274372D+01  0.149205D+01  0.154585D+01
      6   0.170538D+01  0.148733D+01 -0.368589D+01  0.311871D+01  0.757806D+00
                36            37            38            39            40 
      1   0.838244D+01  0.112543D+01 -0.680459D+01  0.212585D+01 -0.131437D+01
      2   0.774091D+01 -0.123119D+01  0.435059D+01  0.229920D+01 -0.162811D+01
      3  -0.161233D+02  0.105761D+00  0.245400D+01 -0.442504D+01  0.294249D+01
      4   0.464974D+01 -0.971448D+00 -0.359229D+01 -0.246395D+00 -0.819699D+01
      5   0.820216D+00 -0.417715D+00 -0.142899D+01 -0.159000D+00 -0.926845D+00
      6  -0.128874D+01  0.184604D+01  0.502216D+00  0.324629D+01  0.281398D+01
                41            42            43            44            45 
      1  -0.131973D+01 -0.438031D+01  0.385489D+01 -0.353102D+01  0.897157D+01
      2  -0.257403D+01 -0.305570D+01  0.268958D+01 -0.765049D+00  0.627922D+01
      3   0.389377D+01  0.743600D+01 -0.654447D+01  0.429607D+01 -0.152508D+02
      4   0.201433D+01  0.194028D+01  0.472681D-01  0.125331D+01 -0.548908D+01
      5  -0.244443D-01  0.261102D+01  0.783601D+00 -0.196926D+01  0.103350D+01
      6  -0.171934D+01 -0.359315D+01 -0.302725D+01  0.114279D+01  0.116829D+01
                46            47            48            49            50 
      1  -0.432911D+02  0.738242D+01 -0.178771D+01  0.173109D+02  0.118721D+02
      2   0.283877D+02 -0.207135D+01  0.440725D+01 -0.111838D+02 -0.154891D+02
      3   0.149034D+02 -0.531107D+01 -0.261954D+01 -0.612712D+01  0.361701D+01
      4   0.919530D+01 -0.109078D+02  0.715329D+00  0.225124D+01  0.436344D+01
      5  -0.502888D+01  0.209759D+01 -0.127433D+02  0.261103D+01  0.855629D+00
      6   0.208165D+00 -0.827540D+00  0.399224D+01  0.137172D+01 -0.302313D+00
                51            52            53            54            55 
      1   0.362407D+01 -0.996965D+01  0.554384D+01 -0.684075D+01  0.943079D+02
      2  -0.971839D+00  0.758142D+01 -0.282723D+01 -0.211083D+01 -0.567421D+02
      3  -0.265223D+01  0.238823D+01 -0.271660D+01  0.895158D+01 -0.375658D+02
      4   0.101264D+01  0.209418D+01 -0.311179D+01  0.274658D+01 -0.632588D+01
      5   0.614809D+01  0.922087D+00  0.128427D+01 -0.688382D+01  0.860429D+01
      6  -0.713205D+01 -0.233147D-01  0.222333D+01 -0.222671D+01 -0.113612D+01
                56            57            58            59            60 
      1  -0.123065D+02  0.488498D+01 -0.108555D+02  0.966343D+01 -0.126341D+01
      2   0.895198D+01 -0.505474D+01  0.784117D+01 -0.221695D+01  0.109061D+01
      3   0.335450D+01  0.169758D+00  0.301436D+01 -0.744648D+01  0.172800D+00
      4   0.232604D+02 -0.811507D+00  0.195239D+02 -0.888003D+01  0.257343D+01
      5  -0.187194D+01  0.237712D+02 -0.175418D+01  0.262276D+01 -0.500737D+01
      6   0.146643D+01 -0.130027D+01  0.118437D+01 -0.157200D+00  0.558181D+01
                61            62            63            64            65 
      1   0.941423D+01 -0.272722D+01  0.142375D+02  0.140748D+02 -0.867870D+01
      2  -0.885151D+01  0.202645D+01 -0.144759D+02 -0.617891D+01  0.159858D+02
      3  -0.562716D+00  0.700775D+00  0.238431D+00 -0.789586D+01 -0.730710D+01
      4  -0.251818D+01  0.462576D+01 -0.208178D+01  0.159983D+02  0.146011D+02
      5   0.250528D+02 -0.374852D+01  0.114159D+02 -0.262061D+01 -0.139284D+01
      6   0.141635D+01  0.440911D+01  0.147064D+00 -0.313592D+01 -0.335824D+01
                66            67            68            69            70 
      1   0.213234D+00 -0.536543D+01 -0.286116D+01  0.103338D+01 -0.480392D+00
      2  -0.724690D+00  0.898413D+01  0.102723D+02 -0.338221D+01  0.140741D+01
      3   0.511456D+00 -0.361870D+01 -0.741118D+01  0.234883D+01 -0.927015D+00
      4  -0.287193D+01  0.140941D+02  0.187502D+02 -0.190871D+01 -0.170337D+01
      5   0.705371D+01 -0.107776D+01 -0.393677D+01  0.358810D+01  0.578435D+01
      6   0.441570D+01 -0.169853D+01 -0.512583D+01  0.917188D+01  0.355790D+01
                71            72            73            74            75 
      1   0.443678D+01 -0.451946D+01 -0.362627D+01 -0.276253D+01 -0.272105D+01
      2  -0.301617D+01 -0.768355D+00  0.368056D+01  0.161979D+01  0.160475D+00
      3  -0.142061D+01  0.528781D+01 -0.542856D-01  0.114275D+01  0.256058D+01
      4  -0.239834D+01  0.469260D+01  0.279545D+01  0.116093D+01  0.203364D+01
      5   0.321447D+01 -0.296910D+01 -0.237492D+01  0.416014D-01  0.477414D+01
      6   0.816329D+01 -0.366620D+01  0.341492D+01 -0.971333D+00 -0.172419D+00
                76            77            78            79            80 
      1  -0.136419D+01 -0.178059D+02 -0.171372D+01 -0.209210D+01 -0.479340D+01
      2  -0.136749D+01  0.288699D+02  0.280755D+01  0.141160D+01  0.363200D+01
      3   0.273168D+01 -0.110640D+02 -0.109383D+01  0.680494D+00  0.116139D+01
      4   0.130672D+02 -0.186849D+02 -0.390881D+01  0.454658D+01 -0.548234D+01
      5   0.177961D+01 -0.350456D+01 -0.469981D+01  0.471539D+01 -0.338246D+01
      6  -0.307611D+01  0.723407D+01  0.113970D+02 -0.183970D+01  0.939522D+01
                81            82            83            84            85 
      1  -0.693887D+01  0.911020D+01  0.283212D+01  0.109034D+01 -0.151519D+01
      2   0.149810D+01 -0.199363D+01 -0.269547D+00 -0.109612D+01  0.196096D+01
      3   0.544077D+01 -0.711657D+01 -0.256257D+01  0.577612D-02 -0.445774D+00
      4  -0.347763D+01  0.197378D+02  0.199882D+02  0.145244D+01  0.823692D+01
      5  -0.379634D+01  0.880119D+00  0.180176D+00  0.695426D+01 -0.531758D+00
      6   0.512878D+01  0.302492D+01 -0.127572D+00  0.467265D+00 -0.169098D+01
                86            87            88            89            90 
      1  -0.225021D+02 -0.148604D+01  0.146765D+01 -0.261366D+01 -0.791074D+01
      2   0.361618D+02  0.812174D+00 -0.128343D+01  0.178462D+01  0.446404D+01
      3  -0.136597D+02  0.673865D+00 -0.184211D+00  0.829039D+00  0.344670D+01
      4   0.182993D+02 -0.319596D+00  0.250188D+01  0.184842D+01  0.631557D+01
      5  -0.589482D+00  0.132329D+01  0.412729D+01  0.645877D+01  0.129019D+01
      6   0.908335D+00  0.128971D+02 -0.374946D+00  0.122257D+02  0.244156D+01
                91            92            93            94            95 
      1  -0.188328D+01 -0.109047D+01 -0.311528D+01 -0.156584D+01 -0.263735D+01
      2  -0.362006D+01 -0.314683D+00 -0.213483D+01 -0.671031D+00 -0.124748D+01
      3   0.550334D+01  0.140516D+01  0.525011D+01  0.223687D+01  0.388483D+01
      4  -0.119204D+01  0.107592D+01 -0.810534D+00  0.225709D+01 -0.650934D+00
      5   0.169552D+01  0.123211D+00  0.472549D+01  0.393830D+00 -0.255728D+00
      6   0.269165D+00  0.800365D+00 -0.188401D+00  0.748920D+00  0.120234D+01
                96            97            98            99           100 
      1  -0.214364D+01 -0.326488D+01 -0.433680D+00 -0.176763D+02 -0.245691D+01
      2  -0.283340D+01 -0.249661D+01 -0.231554D+01 -0.148428D+02 -0.291652D+01
      3   0.497703D+01  0.576149D+01  0.274922D+01  0.325192D+02  0.537343D+01
      4  -0.982500D+00 -0.377571D+00 -0.232039D+01 -0.109482D+01  0.150217D+01
      5  -0.189987D+00  0.430954D+01 -0.225111D+00 -0.238531D+01  0.160223D+01
      6   0.537490D+01 -0.315430D+00  0.444023D+01 -0.942906D+00 -0.284459D+00
               101           102           103           104           105 
      1   0.145672D+01 -0.336049D+01  0.200329D+01 -0.244611D+01  0.243057D+01
      2   0.128939D+00 -0.185835D+01  0.499609D+00 -0.147811D+01  0.280334D+01
      3  -0.158566D+01  0.521884D+01 -0.250290D+01  0.392421D+01 -0.523391D+01
      4   0.160988D+01  0.812938D+00  0.221746D+01  0.101839D+01 -0.122926D+01
      5  -0.261932D+00  0.477465D+01 -0.556357D+00 -0.161544D+00  0.355709D+00
      6   0.851180D+00  0.102717D+00  0.839019D+00 -0.148717D+01  0.524543D+01
               106           107           108           109           110 
      1  -0.474446D+01  0.102642D+01 -0.182105D+02 -0.105699D+02  0.403104D+01
      2  -0.228523D+01  0.274016D+01 -0.135998D+02  0.527491D+01 -0.483389D+01
      3   0.702970D+01 -0.376658D+01  0.318103D+02  0.529495D+01  0.802856D+00
      4   0.751983D+00 -0.217291D+01  0.180609D+01 -0.159135D+02 -0.111087D+02
      5   0.418760D+01  0.165893D+00 -0.228469D+01 -0.826617D+00  0.163001D+00
      6   0.609043D+00  0.438149D+01  0.942874D+00 -0.244004D+01 -0.592949D+00
               111           112           113           114           115 
      1   0.115874D+00  0.176251D+01 -0.547915D+01  0.112556D-01 -0.998289D+00
      2  -0.142292D+00 -0.155744D+01  0.753142D+01 -0.179340D+00  0.437817D+00
      3   0.264183D-01 -0.205070D+00 -0.205226D+01  0.168085D+00  0.560472D+00
      4  -0.903181D+00  0.802994D+00  0.153300D+01  0.788343D-03 -0.222564D+01
      5  -0.486347D+01  0.456173D-01 -0.294493D+00  0.577812D+00  0.282183D+00
      6  -0.129201D+01 -0.204893D-01 -0.159216D+00  0.171755D+01 -0.149716D+00
               116           117           118           119           120 
      1   0.543959D+00 -0.194537D+01  0.576776D+01  0.584759D+01 -0.552774D+00
      2  -0.784636D+00  0.670852D+00 -0.190563D+01 -0.231975D+01  0.800335D+00
      3   0.240677D+00  0.127452D+01 -0.386213D+01 -0.352784D+01 -0.247561D+00
      4  -0.146475D+01  0.239823D+00  0.677734D+01  0.461605D+01  0.155866D+00
      5   0.538784D+00 -0.315334D+00 -0.868675D+00  0.274573D+00  0.192476D+01
      6   0.245194D+01 -0.339922D+00 -0.209106D+00  0.251070D+00  0.115401D+01
               121           122           123           124           125 
      1   0.186846D+02  0.365434D+01  0.143963D+01 -0.266613D+01 -0.320070D-01
      2  -0.103093D+02 -0.662078D+00 -0.159319D+01  0.166545D+01 -0.256145D-01
      3  -0.837534D+01 -0.299226D+01  0.153560D+00  0.100068D+01  0.576215D-01
      4   0.750454D+01  0.211022D+02 -0.940553D+00  0.312982D+00 -0.171113D+01
      5   0.190175D+01 -0.126389D+01  0.481096D+01  0.326154D+01  0.250094D+01
      6   0.115646D+01  0.820699D+00  0.280707D+00  0.681191D+00  0.152928D+01
               126           127           128           129           130 
      1   0.989989D+00 -0.472320D+01  0.774574D+01 -0.891669D+00  0.563665D+01
      2  -0.949654D+00  0.423511D+01 -0.108092D+02 -0.541489D+00 -0.546721D+01
      3  -0.403343D-01  0.488087D+00  0.306346D+01  0.143316D+01 -0.169434D+00
      4   0.267428D+01 -0.553492D+01 -0.880294D+00  0.134767D+01  0.395557D+01
      5  -0.132032D+00  0.110551D+01 -0.663534D+00 -0.132629D+01 -0.100004D+01
      6   0.523446D+00  0.142143D+01  0.208404D+01 -0.165403D+01 -0.484156D+00
               131           132           133           134           135 
      1  -0.157132D+02 -0.427369D-01  0.205105D+01 -0.194863D+01 -0.238874D+01
      2   0.236700D+02  0.985275D+00 -0.130790D+01  0.295208D+01  0.246196D+01
      3  -0.795684D+01 -0.942538D+00 -0.743153D+00 -0.100345D+01 -0.732166D-01
      4   0.331809D+01 -0.572710D+00  0.119983D+01  0.137206D+01  0.164965D-01
      5   0.651456D+00  0.167866D+01  0.835984D+00  0.580582D+00  0.107229D+01
      6  -0.141787D+01  0.412317D+01 -0.440037D+00  0.386325D+01  0.753291D-01
               136           137           138           139           140 
      1   0.130665D+02  0.214185D+01  0.260595D+01 -0.332818D+01  0.366534D+01
      2  -0.412509D+01 -0.698717D+01 -0.211981D+00  0.247755D+00 -0.120821D+01
      3  -0.894136D+01  0.484532D+01 -0.239397D+01  0.308042D+01 -0.245713D+01
      4  -0.156670D+02  0.131444D+02 -0.469877D+00  0.520881D+01 -0.211276D+01
      5  -0.497295D+00  0.148487D+01  0.292414D+01 -0.432693D+00  0.114858D+01
      6  -0.141476D+01 -0.138827D+01 -0.432319D+01  0.900955D-01 -0.991810D+00
               141           142           143           144 
      1   0.423313D+00  0.175296D+01  0.239081D+01  0.109215D+01
      2  -0.309639D+00 -0.587759D+00 -0.341782D+01 -0.112541D+01
      3  -0.113674D+00 -0.116520D+01  0.102701D+01  0.332676D-01
      4   0.116115D+01 -0.393578D+01  0.358973D+01 -0.262789D+01
      5  -0.154816D+01  0.324200D+01 -0.167344D+01  0.765708D+00
      6   0.720291D+00 -0.196930D+01  0.194677D+01 -0.180232D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.132091D+01      0.335741D+01      0.111991D+02
   x          0.793648D+00      0.201725D+01      0.672883D+01
   y          0.105583D+01      0.268365D+01      0.895170D+01
   z         -0.116624D-01     -0.296428D-01     -0.988779D-01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.669353D+02      0.991878D+01      0.110361D+02
   aniso      0.299382D+02      0.443638D+01      0.493614D+01
   xx         0.808764D+02      0.119846D+02      0.133347D+02
   yx         0.114689D-01      0.169951D-02      0.189096D-02
   yy         0.721132D+02      0.106861D+02      0.118899D+02
   zx         0.228734D+01      0.338950D+00      0.377132D+00
   zy        -0.423095D+00     -0.626962D-01     -0.697589D-01
   zz         0.478162D+02      0.708562D+01      0.788382D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.715232D+02      0.105986D+02      0.117926D+02
   aniso      0.287743D+02      0.426391D+01      0.474424D+01
   xx         0.849494D+02      0.125882D+02      0.140063D+02
   yx        -0.340041D-01     -0.503889D-02     -0.560652D-02
   yy         0.764442D+02      0.113279D+02      0.126039D+02
   zx         0.227692D+01      0.337405D+00      0.375413D+00
   zy        -0.500416D+00     -0.741541D-01     -0.825075D-01
   zz         0.531759D+02      0.787986D+01      0.876753D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.48815649         -1.85396287          0.89216674
     8          2.95920301         -2.55521649         -1.23745182
     8          3.34293092         -3.05261297          2.90597208
     6          0.83814839          0.44583491          1.41492448
     6         -1.73062208          0.20630954          0.00596100
     6         -1.60335814          1.25212253         -2.70290523
     8         -3.04286996          2.91322072         -3.31187013
     8          0.45760161          0.63298813          4.04597858
     8         -3.55445576          1.56904693          1.36877920
     8          0.09045969          0.27990378         -4.24778223
     1          1.85692557          2.11313757          0.72126523
     1         -2.28252787         -1.78795564         -0.07485028
     1          1.21976619         -0.93469712         -3.36241776
     1          2.63364914         -2.21202011          4.39122487
     1         -1.19586185          1.39344146          4.28667708
     1         -4.20885744          2.82763477          0.18821163

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.132091D+01      0.335741D+01      0.111991D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.132091D+01      0.335741D+01      0.111991D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.669353D+02      0.991878D+01      0.110361D+02
   aniso      0.299382D+02      0.443638D+01      0.493614D+01
   xx         0.648832D+02      0.961469D+01      0.106978D+02
   yx        -0.149333D+02     -0.221289D+01     -0.246217D+01
   yy         0.606550D+02      0.898815D+01      0.100007D+02
   zx         0.258395D+01      0.382902D+00      0.426036D+00
   zy        -0.354179D+01     -0.524839D+00     -0.583962D+00
   zz         0.752676D+02      0.111535D+02      0.124099D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.715232D+02      0.105986D+02      0.117926D+02
   aniso      0.287743D+02      0.426391D+01      0.474424D+01
   xx         0.694722D+02      0.102947D+02      0.114544D+02
   yx        -0.143919D+02     -0.213265D+01     -0.237290D+01
   yy         0.656343D+02      0.972600D+01      0.108216D+02
   zx         0.252159D+01      0.373661D+00      0.415754D+00
   zy        -0.339689D+01     -0.503368D+00     -0.560072D+00
   zz         0.794630D+02      0.117752D+02      0.131017D+02

 ----------------------------------------------------------------------
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 If fifty million people say a stupid thing,
 it is still a stupid thing.
                   -- Anatole France
 Job cpu time:       0 days  3 hours 37 minutes 47.7 seconds.
 Elapsed time:       0 days  0 hours 13 minutes 38.7 seconds.
 File lengths (MBytes):  RWF=    235 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 15:26:42 2021.
